1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide

C12H15N5O — CID 107544065

IUPAC1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nccc(C#N)n1
InChIInChI=1S/C12H15N5O/c1-8-2-3-9(11(14)18)7-17(8)12-15-5-4-10(6-13)16-12/h4-5,8-9H,2-3,7H2,1H3,(H2,14,18)
InChIKeySCHAUZDQKTYZOH-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.44
Rot. Bonds2

About 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide

1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide (PubChem CID 107544065) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
PubChem CID107544065
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide
SMILESCC1CCC(C(N)=O)CN1c1nccc(C#N)n1
InChIInChI=1S/C12H15N5O/c1-8-2-3-9(11(14)18)7-17(8)12-15-5-4-10(6-13)16-12/h4-5,8-9H,2-3,7H2,1H3,(H2,14,18)
InChIKeySCHAUZDQKTYZOH-UHFFFAOYSA-N
XLogP0.44
TPSA95.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanopyrimidin-2-yl)azetidine-3-carboxylic acid
CID 107542992
(3S,6S)-1-(4-bromo-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 99857715
4-(5-carbamoyl-2-methylpiperidin-1-yl)pyridine-2-carboxylic acid
CID 54988866
(3R,6S)-6-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]piperidine-3-carboxamide
CID 99857723
1-(5-amino-1H-1,2,4-triazol-3-yl)-6-methylpiperidine-3-carboxamide
CID 66276485
2-(2-ethyl-5-methylpyrrolidin-1-yl)pyrimidine-4-carbonitrile
CID 107545070
1-(3-amino-6-methyl-2-pyridinyl)-6-methylpiperidine-3-carboxamide
CID 81131851
2-[2-(1-aminoethyl)piperidin-1-yl]pyrimidine-4-carbonitrile
CID 107552500
6-methyl-1-(5-phenyl-1,2,4-oxadiazol-3-yl)piperidine-3-carboxamide
CID 91651046
1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]-6-methylpiperidine-3-carboxamide
CID 133271070
2-(2-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 175877318
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-6-methylpiperidine-3-carboxamide
CID 80805665

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide (CID 107544065) is 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide is CC1CCC(C(N)=O)CN1c1nccc(C#N)n1.
What is the InChIKey of 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide?
The InChIKey is SCHAUZDQKTYZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-8-2-3-9(11(14)18)7-17(8)12-15-5-4-10(6-13)16-12/h4-5,8-9H,2-3,7H2,1H3,(H2,14,18).
What are the key properties of 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide?
1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide has a molecular weight of 245.29 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyrimidin-2-yl)-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 107544065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).