N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide

C50H45N11O4 — CID 91576314

IUPACN-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide
SMILESCNC(=O)N(CC(=O)Nc1cccc(C(c2cccc(OC)n2)C(c2cccnc2)c2cccnc2)n1)c1cccc(C(c2cccc(OC)n2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C50H45N11O4/c1-51-50(63)61(42-21-5-17-38(57-42)49(40-19-7-23-45(59-40)65-3)47(35-14-10-26-54-30-35)36-15-11-27-55-31-36)32-43(62)60-41-20-4-16-37(56-41)48(39-18-6-22-44(58-39)64-2)46(33-12-8-24-52-28-33)34-13-9-25-53-29-34/h4-31,46-49H,32H2,1-3H3,(H,51,63)(H,56,60,62)
InChIKeyKLLNFKDBQUYYMS-UHFFFAOYSA-N
MW863.98 g/mol
LogP7.58
Rot. Bonds16

About N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide

N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide (PubChem CID 91576314) has the molecular formula C50H45N11O4 and a molecular weight of 863.98 g/mol. Its IUPAC name is N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide.

Molecular Properties

Compound NameN-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide
PubChem CID91576314
Molecular FormulaC50H45N11O4
Molecular Weight863.98 g/mol
Exact Mass863.37
IUPAC NameN-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide
SMILESCNC(=O)N(CC(=O)Nc1cccc(C(c2cccc(OC)n2)C(c2cccnc2)c2cccnc2)n1)c1cccc(C(c2cccc(OC)n2)C(c2cccnc2)c2cccnc2)n1
InChIInChI=1S/C50H45N11O4/c1-51-50(63)61(42-21-5-17-38(57-42)49(40-19-7-23-45(59-40)65-3)47(35-14-10-26-54-30-35)36-15-11-27-55-31-36)32-43(62)60-41-20-4-16-37(56-41)48(39-18-6-22-44(58-39)64-2)46(33-12-8-24-52-28-33)34-13-9-25-53-29-34/h4-31,46-49H,32H2,1-3H3,(H,51,63)(H,56,60,62)
InChIKeyKLLNFKDBQUYYMS-UHFFFAOYSA-N
XLogP7.58
TPSA183.02 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds16
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.98
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide with MolForge

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Related Compounds

6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
CID 42628078
7-(6-methoxypyridin-3-yl)-3-(2-morpholinoethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2(1H)-one
CID 11993244
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 11993342
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-((tetrahydro-2H-pyran-4-yl)methylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45267764
2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-3-oxo-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 45268652
4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamino)pyrido[2,3-b]pyrazin-3(4H)-one
CID 45269493
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyridin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486581
7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)-3-(pyrazin-2-ylmethylamino)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486497
3-(2-(4-ethylpiperazin-1-yl)-2-oxoethylamino)-7-(6-methoxypyridin-3-yl)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486498
7-(6-methoxypyridin-3-yl)-3-(2-(4-methylpiperazin-1-yl)-2-oxoethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2(1H)-one
CID 45486572
7-(6-methoxypyridin-3-yl)-3-(2-morpholino-2-oxoethylamino)-1-(2-propoxyethyl)pyrido[2,3-b]pyrazin-2(1H)-one
CID 11993437
2-(6-(6-methoxypyridin-3-yl)-3-oxo-4-(2-propoxyethyl)-3,4-dihydropyrido[2,3-b]pyrazin-2-ylamino)-N,N-dimethylacetamide
CID 44249786

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide?
The IUPAC name of N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide (CID 91576314) is N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide.
What is the SMILES notation for N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide?
The canonical SMILES for N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide is CNC(=O)N(CC(=O)Nc1cccc(C(c2cccc(OC)n2)C(c2cccnc2)c2cccnc2)n1)c1cccc(C(c2cccc(OC)n2)C(c2cccnc2)c2cccnc2)n1.
What is the InChIKey of N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide?
The InChIKey is KLLNFKDBQUYYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H45N11O4/c1-51-50(63)61(42-21-5-17-38(57-42)49(40-19-7-23-45(59-40)65-3)47(35-14-10-26-54-30-35)36-15-11-27-55-31-36)32-43(62)60-41-20-4-16-37(56-41)48(39-18-6-22-44(58-39)64-2)46(33-12-8-24-52-28-33)34-13-9-25-53-29-34/h4-31,46-49H,32H2,1-3H3,(H,51,63)(H,56,60,62).
What are the key properties of N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide?
N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide has a molecular weight of 863.98 g/mol, XLogP of 7.58, 16 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-2-[[6-[1-(6-methoxy-2-pyridinyl)-2,2-dipyridin-3-ylethyl]-2-pyridinyl]-(methylcarbamoyl)amino]acetamide is sourced from PubChem (CID 91576314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).