1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide

C16H25N5O — CID 84590457

IUPAC1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(c2cc(NCC3CC3)ncn2)C1
InChIInChI=1S/C16H25N5O/c1-20(2)16(22)13-4-3-7-21(10-13)15-8-14(18-11-19-15)17-9-12-5-6-12/h8,11-13H,3-7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyGMQANACGRWVCBK-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.60
Rot. Bonds5

About 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide

1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide (PubChem CID 84590457) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
PubChem CID84590457
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
SMILESCN(C)C(=O)C1CCCN(c2cc(NCC3CC3)ncn2)C1
InChIInChI=1S/C16H25N5O/c1-20(2)16(22)13-4-3-7-21(10-13)15-8-14(18-11-19-15)17-9-12-5-6-12/h8,11-13H,3-7,9-10H2,1-2H3,(H,17,18,19)
InChIKeyGMQANACGRWVCBK-UHFFFAOYSA-N
XLogP1.60
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide
CID 97245441
(3S)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839551
(3R)-N,N-dimethyl-1-(6-methylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 95839552
(3S)-N,N-diethyl-1-(6-methoxypyrimidin-4-yl)piperidine-3-carboxamide
CID 95125854
[1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-3-yl]triazol-4-yl]methanol
CID 154743157
(1R)-1-[1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 97245444
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267
(3S)-1-[6-(4-methoxyanilino)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 99975929
[1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]piperidin-3-yl]-(3-methoxyphenyl)methanone
CID 56863825
N-(cyclopropylmethyl)-6-[4-[(2-methylpropan-2-yl)oxy]piperidin-1-yl]pyrimidin-4-amine
CID 84590310
1-[6-(cyclopropylmethyl)pyrimidin-4-yl]piperidine-3-carboxylic acid
CID 126848226
N-[(1,1-dioxothiolan-2-yl)methyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 127494212

Frequently Asked Questions

What is the IUPAC name of 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide?
The IUPAC name of 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide (CID 84590457) is 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide is CN(C)C(=O)C1CCCN(c2cc(NCC3CC3)ncn2)C1.
What is the InChIKey of 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide?
The InChIKey is GMQANACGRWVCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-20(2)16(22)13-4-3-7-21(10-13)15-8-14(18-11-19-15)17-9-12-5-6-12/h8,11-13H,3-7,9-10H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide?
1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-N,N-dimethylpiperidine-3-carboxamide is sourced from PubChem (CID 84590457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).