N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide

C17H17N7O — CID 53167977

IUPACN-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCCC3)cn2)c1)c1ccccn1
InChIInChI=1S/C17H17N7O/c25-16(15-5-1-2-6-18-15)22-13-9-21-24(12-13)17-19-10-14(11-20-17)23-7-3-4-8-23/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,25)
InChIKeyJCEDZBWBFUMFCH-UHFFFAOYSA-N
MW335.37 g/mol
LogP1.91
Rot. Bonds4

About N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide

N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 53167977) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
PubChem CID53167977
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
SMILESO=C(Nc1cnn(-c2ncc(N3CCCC3)cn2)c1)c1ccccn1
InChIInChI=1S/C17H17N7O/c25-16(15-5-1-2-6-18-15)22-13-9-21-24(12-13)17-19-10-14(11-20-17)23-7-3-4-8-23/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,25)
InChIKeyJCEDZBWBFUMFCH-UHFFFAOYSA-N
XLogP1.91
TPSA88.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 53168052
5-chloro-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]thiophene-2-carboxamide
CID 53168005
2-chloro-5-methylsulfanyl-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]benzamide
CID 53167948
N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
3-methoxy-N-[1-(5-piperidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]propanamide
CID 53167988
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
N-(2-pyrazol-1-ylpyrimidin-5-yl)pyridine-2-carboxamide
CID 71789796
1-methyl-N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]pyrrole-2-carboxamide
CID 53168050
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]cyclopentanecarboxamide
CID 53168034
2-(3-methoxyphenyl)-N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]acetamide
CID 53167952
N-[1-(5-thiomorpholin-4-ylpyrimidin-2-yl)pyrazol-4-yl]-4-(trifluoromethyl)benzamide
CID 53168039
N-[1-(furan-2-ylsulfonyl)pyrazol-4-yl]pyridine-2-carboxamide
CID 52935837

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide (CID 53167977) is N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide is O=C(Nc1cnn(-c2ncc(N3CCCC3)cn2)c1)c1ccccn1.
What is the InChIKey of N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is JCEDZBWBFUMFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c25-16(15-5-1-2-6-18-15)22-13-9-21-24(12-13)17-19-10-14(11-20-17)23-7-3-4-8-23/h1-2,5-6,9-12H,3-4,7-8H2,(H,22,25).
What are the key properties of N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide?
N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 335.37 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-pyrrolidin-1-ylpyrimidin-2-yl)pyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 53167977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).