2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

C17H24N4O2 — CID 138004935

IUPAC2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCC1CCN(C2CC2)CC1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C17H24N4O2/c22-15-9-14(19-16(20-15)12-1-2-12)17(23)18-10-11-5-7-21(8-6-11)13-3-4-13/h9,11-13H,1-8,10H2,(H,18,23)(H,19,20,22)
InChIKeyVLDGBEIGENVWGW-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.25
Rot. Bonds5

About 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide

2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 138004935) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
PubChem CID138004935
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide
SMILESO=C(NCC1CCN(C2CC2)CC1)c1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C17H24N4O2/c22-15-9-14(19-16(20-15)12-1-2-12)17(23)18-10-11-5-7-21(8-6-11)13-3-4-13/h9,11-13H,1-8,10H2,(H,18,23)(H,19,20,22)
InChIKeyVLDGBEIGENVWGW-UHFFFAOYSA-N
XLogP1.25
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide (CID 138004935) is 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is O=C(NCC1CCN(C2CC2)CC1)c1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is VLDGBEIGENVWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c22-15-9-14(19-16(20-15)12-1-2-12)17(23)18-10-11-5-7-21(8-6-11)13-3-4-13/h9,11-13H,1-8,10H2,(H,18,23)(H,19,20,22).
What are the key properties of 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide?
2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(1-cyclopropylpiperidin-4-yl)methyl]-6-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 138004935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).