2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide

C17H20N4O2 — CID 126443243

IUPAC2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1ccc(C)cn1
InChIInChI=1S/C17H20N4O2/c1-3-13(14-7-4-10(2)8-18-14)20-16(22)12-9-19-15(11-5-6-11)21-17(12)23/h4,7-9,11,13H,3,5-6H2,1-2H3,(H,20,22)(H,19,21,23)/t13-/m0/s1
InChIKeyAOUPKHYIINVLMU-ZDUSSCGKSA-N
MW312.37 g/mol
LogP2.23
Rot. Bonds5

About 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide

2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 126443243) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID126443243
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide
SMILESCC[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1ccc(C)cn1
InChIInChI=1S/C17H20N4O2/c1-3-13(14-7-4-10(2)8-18-14)20-16(22)12-9-19-15(11-5-6-11)21-17(12)23/h4,7-9,11,13H,3,5-6H2,1-2H3,(H,20,22)(H,19,21,23)/t13-/m0/s1
InChIKeyAOUPKHYIINVLMU-ZDUSSCGKSA-N
XLogP2.23
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide (CID 126443243) is 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide is CC[C@H](NC(=O)c1cnc(C2CC2)[nH]c1=O)c1ccc(C)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is AOUPKHYIINVLMU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-3-13(14-7-4-10(2)8-18-14)20-16(22)12-9-19-15(11-5-6-11)21-17(12)23/h4,7-9,11,13H,3,5-6H2,1-2H3,(H,20,22)(H,19,21,23)/t13-/m0/s1.
What are the key properties of 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide?
2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1S)-1-(5-methyl-2-pyridinyl)propyl]-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 126443243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).