3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide

C16H18ClN5O — CID 167891867

IUPAC3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(Nc2cc(-c3cccc(Cl)c3)ncn2)C1
InChIInChI=1S/C16H18ClN5O/c17-12-4-1-3-11(7-12)14-8-15(20-10-19-14)21-13-5-2-6-22(9-13)16(18)23/h1,3-4,7-8,10,13H,2,5-6,9H2,(H2,18,23)(H,19,20,21)
InChIKeyVPHSVHACZYYOJN-UHFFFAOYSA-N
MW331.81 g/mol
LogP2.75
Rot. Bonds3

About 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide

3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide (PubChem CID 167891867) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
PubChem CID167891867
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide
SMILESNC(=O)N1CCCC(Nc2cc(-c3cccc(Cl)c3)ncn2)C1
InChIInChI=1S/C16H18ClN5O/c17-12-4-1-3-11(7-12)14-8-15(20-10-19-14)21-13-5-2-6-22(9-13)16(18)23/h1,3-4,7-8,10,13H,2,5-6,9H2,(H2,18,23)(H,19,20,21)
InChIKeyVPHSVHACZYYOJN-UHFFFAOYSA-N
XLogP2.75
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N-(3-chlorophenyl)-3-[(3,5-dichloro-4-pyridinyl)amino]piperidine-1-carboxamide
CID 134359779
N-tert-butyl-3-[6-(cyclohexylamino)pyrimidin-4-yl]benzamide
CID 53009873
4-[[6-[3-(4-chloro-3-oxo-1H-isoindol-2-yl)phenyl]pyrimidin-4-yl]amino]piperidine-1-carboxylic acid
CID 143311008
[3-(1-aminoethyl)piperidin-1-yl]-[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 119594663
2-(3-chlorophenoxy)-1-[3-(methylamino)piperidin-1-yl]ethanone
CID 62535582
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
CID 75455179
N-(2-aminoethyl)-1-[3-(3-chlorophenyl)-1,2-oxazole-5-carbonyl]piperidine-3-carboxamide;hydrochloride
CID 119480725
[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-[3-(methylamino)piperidin-1-yl]methanone
CID 119490176
N-[6-[[(3R)-1-prop-2-enoylpiperidin-3-yl]amino]pyrimidin-4-yl]acetamide
CID 175800552
N-[2-(3-chlorophenyl)ethyl]-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341274
[6-[2-(3-chlorophenyl)ethylamino]pyrimidin-4-yl]-(3-methylpiperidin-1-yl)methanone
CID 109355144
3-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-1,3-dicarboxamide
CID 70742198

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The IUPAC name of 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide (CID 167891867) is 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide.
What is the SMILES notation for 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The canonical SMILES for 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide is NC(=O)N1CCCC(Nc2cc(-c3cccc(Cl)c3)ncn2)C1.
What is the InChIKey of 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
The InChIKey is VPHSVHACZYYOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O/c17-12-4-1-3-11(7-12)14-8-15(20-10-19-14)21-13-5-2-6-22(9-13)16(18)23/h1,3-4,7-8,10,13H,2,5-6,9H2,(H2,18,23)(H,19,20,21).
What are the key properties of 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide?
3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide has a molecular weight of 331.81 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(3-chlorophenyl)pyrimidin-4-yl]amino]piperidine-1-carboxamide is sourced from PubChem (CID 167891867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).