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

C14H20N4O — CID 53014763

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)C1CC1
InChIInChI=1S/C14H20N4O/c19-13(11-5-6-11)17-12-9-15-14(16-10-12)18-7-3-1-2-4-8-18/h9-11H,1-8H2,(H,17,19)
InChIKeyLMGIGBNIFISPGI-UHFFFAOYSA-N
MW260.34 g/mol
LogP2.21
Rot. Bonds3

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

N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide (PubChem CID 53014763) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
PubChem CID53014763
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cnc(N2CCCCCC2)nc1)C1CC1
InChIInChI=1S/C14H20N4O/c19-13(11-5-6-11)17-12-9-15-14(16-10-12)18-7-3-1-2-4-8-18/h9-11H,1-8H2,(H,17,19)
InChIKeyLMGIGBNIFISPGI-UHFFFAOYSA-N
XLogP2.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.21
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]cyclopropanecarboxamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide (CID 53014763) is N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide is O=C(Nc1cnc(N2CCCCCC2)nc1)C1CC1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide?
The InChIKey is LMGIGBNIFISPGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c19-13(11-5-6-11)17-12-9-15-14(16-10-12)18-7-3-1-2-4-8-18/h9-11H,1-8H2,(H,17,19).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.21, 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]cyclopropanecarboxamide is sourced from PubChem (CID 53014763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).