N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide

C29H28N6O2 — CID 168930595

IUPACN-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C29H28N6O2/c1-17(2)25-11-20(8-9-31-25)29(37)34-23-7-4-18(3)24(12-23)21-10-22(15-30-14-21)26-13-27(33-16-32-26)35-28(36)19-5-6-19/h4,7-17,19H,5-6H2,1-3H3,(H,34,37)(H,32,33,35,36)
InChIKeyYGHIQODGXJCWMX-UHFFFAOYSA-N
MW492.58 g/mol
LogP5.63
Rot. Bonds7

About N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide

N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide (PubChem CID 168930595) has the molecular formula C29H28N6O2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
PubChem CID168930595
Molecular FormulaC29H28N6O2
Molecular Weight492.58 g/mol
Exact Mass492.23
IUPAC NameN-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1
InChIInChI=1S/C29H28N6O2/c1-17(2)25-11-20(8-9-31-25)29(37)34-23-7-4-18(3)24(12-23)21-10-22(15-30-14-21)26-13-27(33-16-32-26)35-28(36)19-5-6-19/h4,7-17,19H,5-6H2,1-3H3,(H,34,37)(H,32,33,35,36)
InChIKeyYGHIQODGXJCWMX-UHFFFAOYSA-N
XLogP5.63
TPSA109.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.58
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide with MolForge

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Related Compounds

N-[6-[5-[5-[2-(difluoromethyl)-4-pyridinyl]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 168930075
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-(2-fluoropropan-2-yl)pyridine-3-carboxamide
CID 176572429
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[6-[5-[2-methyl-5-(3-propan-2-ylpyrrolidin-1-yl)phenyl]-3-pyridinyl]pyrimidin-4-yl]cyclopropanecarboxamide
CID 168928807
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-5-azaspiro[2.4]heptane-5-carboxamide
CID 168928461
3-(2-cyanopropan-2-yl)-N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]benzamide
CID 168930509
N-[3-[2-[2-[hydroxy(methylamino)methyl]-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide
CID 170107176
methyl N-[6-[5-[5-[[2-(2-cyanopropan-2-yl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]pyrimidin-4-yl]carbamate
CID 168929287
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyrimidine-5-carboxamide
CID 176572432
N-[3-[5-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-3-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176572342
6-[5-[5-[[2-(1,1-difluoroethyl)pyridine-4-carbonyl]amino]-2-methylphenyl]-3-pyridinyl]-N-methylpyrimidine-4-carboxamide
CID 168930025
2-(cyclopropanecarbonylamino)-N-[5-(2,5-dimethylthiophen-3-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 118064448

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide (CID 168930595) is N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)C)c2)cc1-c1cncc(-c2cc(NC(=O)C3CC3)ncn2)c1.
What is the InChIKey of N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide?
The InChIKey is YGHIQODGXJCWMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O2/c1-17(2)25-11-20(8-9-31-25)29(37)34-23-7-4-18(3)24(12-23)21-10-22(15-30-14-21)26-13-27(33-16-32-26)35-28(36)19-5-6-19/h4,7-17,19H,5-6H2,1-3H3,(H,34,37)(H,32,33,35,36).
What are the key properties of N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide?
N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 5.63, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]-3-pyridinyl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 168930595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).