N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide

C16H24N4O — CID 53014762

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)C1CCCC1
InChIInChI=1S/C16H24N4O/c21-15(13-7-3-4-8-13)19-14-11-17-16(18-12-14)20-9-5-1-2-6-10-20/h11-13H,1-10H2,(H,19,21)
InChIKeyMBJCVBJOYGKLND-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.99
Rot. Bonds3

About N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide

N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide (PubChem CID 53014762) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide
PubChem CID53014762
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)C1CCCC1
InChIInChI=1S/C16H24N4O/c21-15(13-7-3-4-8-13)19-14-11-17-16(18-12-14)20-9-5-1-2-6-10-20/h11-13H,1-10H2,(H,19,21)
InChIKeyMBJCVBJOYGKLND-UHFFFAOYSA-N
XLogP2.99
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide (CID 53014762) is N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide is O=C(Nc1cnc(N2CCCCCC2)nc1)C1CCCC1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide?
The InChIKey is MBJCVBJOYGKLND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-15(13-7-3-4-8-13)19-14-11-17-16(18-12-14)20-9-5-1-2-6-10-20/h11-13H,1-10H2,(H,19,21).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide has a molecular weight of 288.39 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopentanecarboxamide is sourced from PubChem (CID 53014762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).