4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide

C11H16N4O — CID 116904091

IUPAC4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide
SMILESCN1CCC(c2ccnc(C(N)=O)n2)CC1
InChIInChI=1S/C11H16N4O/c1-15-6-3-8(4-7-15)9-2-5-13-11(14-9)10(12)16/h2,5,8H,3-4,6-7H2,1H3,(H2,12,16)
InChIKeyMBOSIKXZGKQGLC-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.38
Rot. Bonds2

About 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide

4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide (PubChem CID 116904091) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide
PubChem CID116904091
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide
SMILESCN1CCC(c2ccnc(C(N)=O)n2)CC1
InChIInChI=1S/C11H16N4O/c1-15-6-3-8(4-7-15)9-2-5-13-11(14-9)10(12)16/h2,5,8H,3-4,6-7H2,1H3,(H2,12,16)
InChIKeyMBOSIKXZGKQGLC-UHFFFAOYSA-N
XLogP0.38
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(1-methylpiperidin-4-yl)pyrimidin-2-yl]butanoic acid
CID 116903021
4-methyl-6-(1-methylpiperidin-4-yl)pyrimidine-2-carboxylic acid
CID 116894072
4-iodopyrimidine-2-carboxamide
CID 133055653
3-[4-(1-methylpyrrolidin-3-yl)pyrimidin-2-yl]butanoic acid
CID 116899990
2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine
CID 163230195
4-[(1-methylpiperidin-4-yl)amino]pyridine-2-carboxamide
CID 43517657
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
5-(1-methylpiperidin-4-yl)pyrazine-2-carboxylic acid
CID 123578184
2-(1-methylpiperidin-4-yl)-4-nitropyridine
CID 69275543
2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
CID 138668007
5-(1-methylpiperidin-4-yl)pyrazine-2,3-diamine
CID 67362960
2-(1-methylpiperidin-4-yl)pyrazole-3-carboxamide
CID 71145215

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide (CID 116904091) is 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide is CN1CCC(c2ccnc(C(N)=O)n2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide?
The InChIKey is MBOSIKXZGKQGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-15-6-3-8(4-7-15)9-2-5-13-11(14-9)10(12)16/h2,5,8H,3-4,6-7H2,1H3,(H2,12,16).
What are the key properties of 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide?
4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 116904091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).