N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide

C19H24N6O3 — CID 166401105

IUPACN'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
SMILESCNc1ccc(NC(=O)C(=O)NCC(c2cccnc2)N2CCOCC2)cn1
InChIInChI=1S/C19H24N6O3/c1-20-17-5-4-15(12-22-17)24-19(27)18(26)23-13-16(14-3-2-6-21-11-14)25-7-9-28-10-8-25/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22)(H,23,26)(H,24,27)
InChIKeyPBEZDXFMRKECAX-UHFFFAOYSA-N
MW384.44 g/mol
LogP0.65
Rot. Bonds6

About N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide

N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide (PubChem CID 166401105) has the molecular formula C19H24N6O3 and a molecular weight of 384.44 g/mol. Its IUPAC name is N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide.

Molecular Properties

Compound NameN'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
PubChem CID166401105
Molecular FormulaC19H24N6O3
Molecular Weight384.44 g/mol
Exact Mass384.19
IUPAC NameN'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
SMILESCNc1ccc(NC(=O)C(=O)NCC(c2cccnc2)N2CCOCC2)cn1
InChIInChI=1S/C19H24N6O3/c1-20-17-5-4-15(12-22-17)24-19(27)18(26)23-13-16(14-3-2-6-21-11-14)25-7-9-28-10-8-25/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22)(H,23,26)(H,24,27)
InChIKeyPBEZDXFMRKECAX-UHFFFAOYSA-N
XLogP0.65
TPSA108.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-phenylethyl)oxamide
CID 166237380
N'-(4-fluorophenyl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]oxamide
CID 92680930
methyl N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)carbamate
CID 5310569
N-benzyl-N'-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide
CID 22517260
N'-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-N-(pyridin-2-ylmethyl)oxamide
CID 92680787
ethyl 2-[(2-morpholin-4-yl-2-pyridin-3-ylethyl)amino]-2-oxoacetate
CID 45497405
N-methyl-2-morpholin-4-yl-2-pyridin-3-ylethanamine
CID 44784942
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 16806482
N'-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)-2-pyridin-3-ylethyl]oxamide
CID 22517366
N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)furan-2-carboxamide
CID 3241753
2-(1-methylpyrrol-2-yl)-N-[(2R)-2-morpholin-4-yl-2-pyridin-3-ylethyl]-2-oxoacetamide
CID 99977577
1-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-pyridin-3-ylurea
CID 18101833

Frequently Asked Questions

What is the IUPAC name of N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide?
The IUPAC name of N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide (CID 166401105) is N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide.
What is the SMILES notation for N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide?
The canonical SMILES for N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide is CNc1ccc(NC(=O)C(=O)NCC(c2cccnc2)N2CCOCC2)cn1.
What is the InChIKey of N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide?
The InChIKey is PBEZDXFMRKECAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3/c1-20-17-5-4-15(12-22-17)24-19(27)18(26)23-13-16(14-3-2-6-21-11-14)25-7-9-28-10-8-25/h2-6,11-12,16H,7-10,13H2,1H3,(H,20,22)(H,23,26)(H,24,27).
What are the key properties of N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide?
N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide has a molecular weight of 384.44 g/mol, XLogP of 0.65, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[6-(methylamino)-3-pyridinyl]-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)oxamide is sourced from PubChem (CID 166401105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).