4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide

C28H23N7O2 — CID 168929427

IUPAC4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C5(C#N)CC5)c4)ccc3C)ncn2)ccn1
InChIInChI=1S/C28H23N7O2/c1-17-3-4-20(35-26(36)19-6-10-32-25(12-19)28(15-29)7-8-28)13-21(17)23-14-22(33-16-34-23)18-5-9-31-24(11-18)27(37)30-2/h3-6,9-14,16H,7-8H2,1-2H3,(H,30,37)(H,35,36)
InChIKeyDDAJPLKKTBRQGO-UHFFFAOYSA-N
MW489.54 g/mol
LogP4.08
Rot. Bonds6

About 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide

4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide (PubChem CID 168929427) has the molecular formula C28H23N7O2 and a molecular weight of 489.54 g/mol. Its IUPAC name is 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide
PubChem CID168929427
Molecular FormulaC28H23N7O2
Molecular Weight489.54 g/mol
Exact Mass489.19
IUPAC Name4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C5(C#N)CC5)c4)ccc3C)ncn2)ccn1
InChIInChI=1S/C28H23N7O2/c1-17-3-4-20(35-26(36)19-6-10-32-25(12-19)28(15-29)7-8-28)13-21(17)23-14-22(33-16-34-23)18-5-9-31-24(11-18)27(37)30-2/h3-6,9-14,16H,7-8H2,1-2H3,(H,30,37)(H,35,36)
InChIKeyDDAJPLKKTBRQGO-UHFFFAOYSA-N
XLogP4.08
TPSA133.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.54
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1-cyanocyclopropyl)-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridine-4-carboxamide
CID 90463373
4-[5-ethyl-2-[2-methyl-5-[(2-methylpyridine-4-carbonyl)amino]phenyl]-4-pyridinyl]-N-methylpyridine-2-carboxamide
CID 168930705
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
4-[6-[2-methyl-5-(methylamino)phenyl]pyrimidin-4-yl]pyridine-2-carboxamide
CID 168929368
2-(1-cyanocyclopropyl)-N-[5-[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]pyrimidin-2-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
CID 168929567
2-(1-cyanocyclopropyl)-N-[3-[3-[(Z)-3-(cyclopropanecarbonylamino)-1-(methylideneamino)-3-methyliminoprop-1-enyl]phenyl]-4-methylphenyl]pyridine-4-carboxamide
CID 170101248
4-[4-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-fluorophenyl]-6-methyl-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 169024632
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 168930703
5-cyano-N-[4-methyl-3-[5-[2-(methylcarbamoyl)-4-pyridinyl]-3-pyridinyl]phenyl]pyridazine-3-carboxamide
CID 176565436
N-[3-[2-[2-[hydroxy(methylamino)methyl]-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 170107176
4-[6-[5-[[3-(2-cyanopropan-2-yl)benzoyl]amino]-2-methylphenyl]pyrazin-2-yl]-N-cyclopropylpyridine-2-carboxamide
CID 168930218
4-[4-[5-[[2-(2-fluoropropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-2-pyridinyl]-N-(1-methylazetidin-3-yl)pyridine-2-carboxamide
CID 169024539

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide (CID 168929427) is 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(-c2cc(-c3cc(NC(=O)c4ccnc(C5(C#N)CC5)c4)ccc3C)ncn2)ccn1.
What is the InChIKey of 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide?
The InChIKey is DDAJPLKKTBRQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N7O2/c1-17-3-4-20(35-26(36)19-6-10-32-25(12-19)28(15-29)7-8-28)13-21(17)23-14-22(33-16-34-23)18-5-9-31-24(11-18)27(37)30-2/h3-6,9-14,16H,7-8H2,1-2H3,(H,30,37)(H,35,36).
What are the key properties of 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide?
4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-[[2-(1-cyanocyclopropyl)pyridine-4-carbonyl]amino]-2-methylphenyl]pyrimidin-4-yl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 168929427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).