N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

C28H25N7O2 — CID 169024588

IUPACN-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)C#N)c4)cnc3C)ccn2)ccn1
InChIInChI=1S/C28H25N7O2/c1-17-23(19-5-8-30-24(11-19)20-6-10-32-26(13-20)34-18(2)36)14-22(15-33-17)35-27(37)21-7-9-31-25(12-21)28(3,4)16-29/h5-15H,1-4H3,(H,35,37)(H,32,34,36)
InChIKeyOEDWLJUUPDYJFH-UHFFFAOYSA-N
MW491.56 g/mol
LogP4.92
Rot. Bonds6

About N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide

N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (PubChem CID 169024588) has the molecular formula C28H25N7O2 and a molecular weight of 491.56 g/mol. Its IUPAC name is N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
PubChem CID169024588
Molecular FormulaC28H25N7O2
Molecular Weight491.56 g/mol
Exact Mass491.21
IUPAC NameN-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
SMILESCC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)C#N)c4)cnc3C)ccn2)ccn1
InChIInChI=1S/C28H25N7O2/c1-17-23(19-5-8-30-24(11-19)20-6-10-32-26(13-20)34-18(2)36)14-22(15-33-17)35-27(37)21-7-9-31-25(12-21)28(3,4)16-29/h5-15H,1-4H3,(H,35,37)(H,32,34,36)
InChIKeyOEDWLJUUPDYJFH-UHFFFAOYSA-N
XLogP4.92
TPSA133.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.56
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[5-[2-[2-[(2-cyano-2-methylpropanoyl)amino]-4-pyridinyl]-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168929322
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(2,2-dimethylpropanoylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930406
N-[5-[3-(2-aminopyrimidin-4-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168930131
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-[(2-methoxy-2-methylpropanoyl)amino]-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930730
2-(2-cyanopropan-2-yl)-N-[5-[6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 155216263
2-(2-cyanopropan-2-yl)-N-[5-[5-cyano-6-(1,3,5-trimethylpyrazol-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 130417896
N-[5-[5-cyano-6-(1-methyl-6-methylidene-3-pyridinyl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 155216117
N-[5-[5-cyano-6-[[(3R)-oxolan-3-yl]amino]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 130417974
2-(2-cyanopropan-2-yl)-N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 168930124
N-[5-[5-cyano-6-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 130405112
N-methyl-4-[4-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-2-pyridinyl]pyridine-2-carboxamide
CID 168930262
2-(2-cyanopropan-2-yl)-N-[5-(6-hydroxy-1,2,4,4a,5,6-hexahydro-[1,4]oxazino[4,3-a]quinolin-9-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 137361901

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The IUPAC name of N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide (CID 169024588) is N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is CC(=O)Nc1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C(C)(C)C#N)c4)cnc3C)ccn2)ccn1.
What is the InChIKey of N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
The InChIKey is OEDWLJUUPDYJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7O2/c1-17-23(19-5-8-30-24(11-19)20-6-10-32-26(13-20)34-18(2)36)14-22(15-33-17)35-27(37)21-7-9-31-25(12-21)28(3,4)16-29/h5-15H,1-4H3,(H,35,37)(H,32,34,36).
What are the key properties of N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide?
N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide has a molecular weight of 491.56 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 169024588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).