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

C14H22N4O — CID 53164766

IUPACN-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
SMILESCCCC(=O)Nc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-2-7-13(19)17-12-10-15-14(16-11-12)18-8-5-3-4-6-9-18/h10-11H,2-9H2,1H3,(H,17,19)
InChIKeyWAPZWQWOJFBGIW-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.60
Rot. Bonds4

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

N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide (PubChem CID 53164766) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide.

Molecular Properties

Compound NameN-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
PubChem CID53164766
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
SMILESCCCC(=O)Nc1cnc(N2CCCCCC2)nc1
InChIInChI=1S/C14H22N4O/c1-2-7-13(19)17-12-10-15-14(16-11-12)18-8-5-3-4-6-9-18/h10-11H,2-9H2,1H3,(H,17,19)
InChIKeyWAPZWQWOJFBGIW-UHFFFAOYSA-N
XLogP2.60
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-pyrrolidin-1-ylpyrimidin-5-yl)butanamide
CID 71789958
3-cyclohexyl-N-(2-piperidin-1-ylpyrimidin-5-yl)propanamide
CID 122298424
2-(4-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164666
N-[4-(azepan-1-yl)phenyl]butanamide
CID 60593025
3-(3-methylthiophen-2-yl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)propanamide
CID 122298326
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
2-(3-methylphenyl)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 122298592
N-(2-pyrazol-1-ylpyrimidin-5-yl)butanamide
CID 91967761
2-(4-fluorophenoxy)-N-(2-piperidin-1-ylpyrimidin-5-yl)acetamide
CID 53164713
2-(2-methoxyphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298244
2-(3-methylphenyl)-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)acetamide
CID 122298207
N-(2-piperidin-1-ylpyrimidin-5-yl)ethanesulfonamide
CID 122298530

Frequently Asked Questions

What is the IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide?
The IUPAC name of N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide (CID 53164766) is N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide.
What is the SMILES notation for N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide?
The canonical SMILES for N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide is CCCC(=O)Nc1cnc(N2CCCCCC2)nc1.
What is the InChIKey of N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide?
The InChIKey is WAPZWQWOJFBGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-2-7-13(19)17-12-10-15-14(16-11-12)18-8-5-3-4-6-9-18/h10-11H,2-9H2,1H3,(H,17,19).
What are the key properties of N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide?
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide has a molecular weight of 262.36 g/mol, XLogP of 2.60, 4 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]butanamide is sourced from PubChem (CID 53164766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).