N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

C17H18N6O — CID 97203575

IUPACN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1ccnn1C
InChIInChI=1S/C17H18N6O/c1-3-14(15-6-8-21-23(15)2)22-17(24)13-10-19-16(20-11-13)12-5-4-7-18-9-12/h4-11,14H,3H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyXIHUJOXBDBXGDQ-CQSZACIVSA-N
MW322.37 g/mol
LogP2.15
Rot. Bonds5

About N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide

N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (PubChem CID 97203575) has the molecular formula C17H18N6O and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
PubChem CID97203575
Molecular FormulaC17H18N6O
Molecular Weight322.37 g/mol
Exact Mass322.15
IUPAC NameN-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
SMILESCC[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1ccnn1C
InChIInChI=1S/C17H18N6O/c1-3-14(15-6-8-21-23(15)2)22-17(24)13-10-19-16(20-11-13)12-5-4-7-18-9-12/h4-11,14H,3H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKeyXIHUJOXBDBXGDQ-CQSZACIVSA-N
XLogP2.15
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 72936682
N-[(1R)-1-(2,4-dimethylphenyl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 97209971
3-hydroxy-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-2-carboxamide
CID 91773008
2-(methylamino)-N-[1-(2-methylpyrazol-3-yl)propyl]pyridine-4-carboxamide
CID 50968548
N-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 56743859
4-(1-methyl-6-oxopyridazin-3-yl)-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]benzamide
CID 125437307
1-methyl-N-[(1S)-1-(2-methylpyrazol-3-yl)propyl]-6-pyridin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 95707102
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 95525394
methyl 1-methyl-4-[4-[[(1S)-1-(2-methylpyrazol-3-yl)propyl]carbamoyl]phenyl]pyrazole-5-carboxylate
CID 125440800
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 46993346
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-(1,2,4-triazol-4-yl)benzamide
CID 126425657
5-ethyl-N-[1-(2-methylpyrazol-3-yl)propyl]-1H-pyrrole-2-carboxamide
CID 91783089

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide (CID 97203575) is N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is CC[C@@H](NC(=O)c1cnc(-c2cccnc2)nc1)c1ccnn1C.
What is the InChIKey of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
The InChIKey is XIHUJOXBDBXGDQ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N6O/c1-3-14(15-6-8-21-23(15)2)22-17(24)13-10-19-16(20-11-13)12-5-4-7-18-9-12/h4-11,14H,3H2,1-2H3,(H,22,24)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide?
N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methylpyrazol-3-yl)propyl]-2-pyridin-3-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 97203575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).