N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide

C17H21N5O2 — CID 166257039

IUPACN-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccn1
InChIInChI=1S/C17H21N5O2/c1-2-3-13-8-12(4-6-18-13)17(24)21-14-5-7-22(10-14)15-9-16(23)20-11-19-15/h4,6,8-9,11,14H,2-3,5,7,10H2,1H3,(H,21,24)(H,19,20,23)
InChIKeyDXQRWIYOQNUGSN-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.13
Rot. Bonds5

About N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide

N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide (PubChem CID 166257039) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide
PubChem CID166257039
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide
SMILESCCCc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccn1
InChIInChI=1S/C17H21N5O2/c1-2-3-13-8-12(4-6-18-13)17(24)21-14-5-7-22(10-14)15-9-16(23)20-11-19-15/h4,6,8-9,11,14H,2-3,5,7,10H2,1H3,(H,21,24)(H,19,20,23)
InChIKeyDXQRWIYOQNUGSN-UHFFFAOYSA-N
XLogP1.13
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-hydroxy-N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]benzamide
CID 136567841
2-(2-hydroxyethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116342
2-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116340
2-(2-aminoethyl)-N-(1-methylpiperidin-4-yl)pyridine-4-carboxamide
CID 115116266
N-[(1-methylpiperidin-3-yl)methyl]-2-propylpyridine-4-carboxamide
CID 56712999
4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136987918
4-[3-(ethylaminomethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136989738
2-(cyanomethyl)-N-(1-methylpyrrolidin-3-yl)pyridine-4-carboxamide
CID 115116174
4-[3-(hydroxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136958068
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
3,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzamide
CID 90621378
4-propyl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]benzamide
CID 121142595

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide?
The IUPAC name of N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide (CID 166257039) is N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide.
What is the SMILES notation for N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide?
The canonical SMILES for N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide is CCCc1cc(C(=O)NC2CCN(c3cc(=O)[nH]cn3)C2)ccn1.
What is the InChIKey of N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide?
The InChIKey is DXQRWIYOQNUGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-2-3-13-8-12(4-6-18-13)17(24)21-14-5-7-22(10-14)15-9-16(23)20-11-19-15/h4,6,8-9,11,14H,2-3,5,7,10H2,1H3,(H,21,24)(H,19,20,23).
What are the key properties of N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide?
N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidin-3-yl]-2-propylpyridine-4-carboxamide is sourced from PubChem (CID 166257039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).