2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide

C26H31N7O2 — CID 166061341

IUPAC2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide
SMILESCNC(=O)C1CCCC2(CCN(c3cc(Nc4ccc(OC)cn4)nc(-c4cccnc4)n3)C2)C1
InChIInChI=1S/C26H31N7O2/c1-27-25(34)18-5-3-9-26(14-18)10-12-33(17-26)23-13-22(30-21-8-7-20(35-2)16-29-21)31-24(32-23)19-6-4-11-28-15-19/h4,6-8,11,13,15-16,18H,3,5,9-10,12,14,17H2,1-2H3,(H,27,34)(H,29,30,31,32)
InChIKeyMDZYIUULPIEGHB-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.82
Rot. Bonds6

About 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide

2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide (PubChem CID 166061341) has the molecular formula C26H31N7O2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide.

Molecular Properties

Compound Name2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide
PubChem CID166061341
Molecular FormulaC26H31N7O2
Molecular Weight473.58 g/mol
Exact Mass473.25
IUPAC Name2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide
SMILESCNC(=O)C1CCCC2(CCN(c3cc(Nc4ccc(OC)cn4)nc(-c4cccnc4)n3)C2)C1
InChIInChI=1S/C26H31N7O2/c1-27-25(34)18-5-3-9-26(14-18)10-12-33(17-26)23-13-22(30-21-8-7-20(35-2)16-29-21)31-24(32-23)19-6-4-11-28-15-19/h4,6-8,11,13,15-16,18H,3,5,9-10,12,14,17H2,1-2H3,(H,27,34)(H,29,30,31,32)
InChIKeyMDZYIUULPIEGHB-UHFFFAOYSA-N
XLogP3.82
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-2-[6-(pyrazin-2-ylamino)-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
CID 166061302
N-methyl-2-[6-[(3-methyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
CID 166061368
N-methyl-2-[6-[(4-methylsulfanyl-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxamide
CID 166061264
2-[2-(3-aminophenyl)-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide
CID 166061277
6-(2-azaspiro[4.5]decan-2-yl)-2-pyridin-3-yl-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
CID 166713273
1-[8-[2-pyridin-3-yl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 166713230
2-pyridin-3-yl-6-(8-thia-2-azaspiro[4.5]decan-2-yl)-N-[4-(trifluoromethoxy)-2-pyridinyl]pyrimidin-4-amine
CID 166713436
ethyl 2-[2-chloro-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]-2-azaspiro[4.5]decane-7-carboxylate
CID 166061369
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-3-carboxylic acid
CID 56767522
1-[3-[1-[2-pyridin-3-yl-6-[[4-(trifluoromethoxy)-2-pyridinyl]amino]pyrimidin-4-yl]piperidin-4-yl]phenyl]ethanone
CID 166713302
N-(1-methoxypropan-2-yl)-1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)piperidine-4-carboxamide
CID 50960350
N-[2-[4-[6-(2-chloroanilino)-2-pyridin-3-ylpyrimidin-4-yl]piperazin-1-yl]phenyl]acetamide
CID 172970837

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide?
The IUPAC name of 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide (CID 166061341) is 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide.
What is the SMILES notation for 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide?
The canonical SMILES for 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide is CNC(=O)C1CCCC2(CCN(c3cc(Nc4ccc(OC)cn4)nc(-c4cccnc4)n3)C2)C1.
What is the InChIKey of 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide?
The InChIKey is MDZYIUULPIEGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N7O2/c1-27-25(34)18-5-3-9-26(14-18)10-12-33(17-26)23-13-22(30-21-8-7-20(35-2)16-29-21)31-24(32-23)19-6-4-11-28-15-19/h4,6-8,11,13,15-16,18H,3,5,9-10,12,14,17H2,1-2H3,(H,27,34)(H,29,30,31,32).
What are the key properties of 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide?
2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide has a molecular weight of 473.58 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5-methoxy-2-pyridinyl)amino]-2-pyridin-3-ylpyrimidin-4-yl]-N-methyl-2-azaspiro[4.5]decane-7-carboxamide is sourced from PubChem (CID 166061341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).