1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide

C11H15ClN4O2 — CID 136971083

IUPAC1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H15ClN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18)
InChIKeyLYWYAKYEADOJIE-UHFFFAOYSA-N
MW270.72 g/mol
LogP0.53
Rot. Bonds2

About 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide

1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (PubChem CID 136971083) has the molecular formula C11H15ClN4O2 and a molecular weight of 270.72 g/mol. Its IUPAC name is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.

Molecular Properties

Compound Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
PubChem CID136971083
Molecular FormulaC11H15ClN4O2
Molecular Weight270.72 g/mol
Exact Mass270.09
IUPAC Name1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide
SMILESCNC(=O)C1CCCCN1c1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H15ClN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18)
InChIKeyLYWYAKYEADOJIE-UHFFFAOYSA-N
XLogP0.53
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-Dichloro-6-oxopyrimidin-1-yl)azepan-2-one
CID 114583208
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylpropanamide
CID 136713572
5-chloro-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778294
5-chloro-4-[cyclopropyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805287
5-chloro-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805297
5-chloro-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805306
5-chloro-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805313
5-chloro-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805321
5-chloro-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842970
4-[(3R)-3-aminopiperidin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136873262
5-chloro-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879306
5-chloro-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136970677

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The IUPAC name of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide (CID 136971083) is 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide.
What is the SMILES notation for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The canonical SMILES for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is CNC(=O)C1CCCCN1c1nc[nH]c(=O)c1Cl.
What is the InChIKey of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
The InChIKey is LYWYAKYEADOJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN4O2/c1-13-10(17)7-4-2-3-5-16(7)9-8(12)11(18)15-6-14-9/h6-7H,2-5H2,1H3,(H,13,17)(H,14,15,18).
What are the key properties of 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide?
1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide has a molecular weight of 270.72 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-2-carboxamide is sourced from PubChem (CID 136971083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).