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

C25H27N7O3 — CID 90461314

IUPAC2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)nc1N1CCOCC1
InChIInChI=1S/C25H27N7O3/c1-16-19(20-14-29-24(34-4)22(31-20)32-7-9-35-10-8-32)12-18(13-28-16)30-23(33)17-5-6-27-21(11-17)25(2,3)15-26/h5-6,11-14H,7-10H2,1-4H3,(H,30,33)
InChIKeyYCUFYTVPBGVRKN-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.14
Rot. Bonds6

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

2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90461314) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90461314
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC Name2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCOc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)nc1N1CCOCC1
InChIInChI=1S/C25H27N7O3/c1-16-19(20-14-29-24(34-4)22(31-20)32-7-9-35-10-8-32)12-18(13-28-16)30-23(33)17-5-6-27-21(11-17)25(2,3)15-26/h5-6,11-14H,7-10H2,1-4H3,(H,30,33)
InChIKeyYCUFYTVPBGVRKN-UHFFFAOYSA-N
XLogP3.14
TPSA126.15 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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
2-(2-cyanopropan-2-yl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90463027
2-cyclopropyl-N-[5-(6-methoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 90460391
2-(1,1-difluoroethyl)-N-[6-methyl-5-(2-morpholin-4-yl-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide
CID 86297886
N-[5-[2-(2-acetamido-4-pyridinyl)-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 169024588
2-(2-cyanopropan-2-yl)-N-[3-[2-[[(2S)-2-hydroxypropyl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 90462501
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
N-[5-[3-(2-aminopyrimidin-4-yl)phenyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide
CID 168930131
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-[5-[6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 155216263
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
3-[(dimethylamino)methyl]-N-[5-(5-ethoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 90456342

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide (CID 90461314) is 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide is COc1ncc(-c2cc(NC(=O)c3ccnc(C(C)(C)C#N)c3)cnc2C)nc1N1CCOCC1.
What is the InChIKey of 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is YCUFYTVPBGVRKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-16-19(20-14-29-24(34-4)22(31-20)32-7-9-35-10-8-32)12-18(13-28-16)30-23(33)17-5-6-27-21(11-17)25(2,3)15-26/h5-6,11-14H,7-10H2,1-4H3,(H,30,33).
What are the key properties of 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyanopropan-2-yl)-N-[5-(5-methoxy-6-morpholin-4-ylpyrazin-2-yl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).