4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide

C17H19ClN4O — CID 90545984

IUPAC4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)ncn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)21-17(23)13-2-4-14(18)5-3-13/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23)
InChIKeyYDPZVMQZDBJIQM-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.62
Rot. Bonds3

About 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide

4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90545984) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90545984
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC Name4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)ncn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)21-17(23)13-2-4-14(18)5-3-13/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23)
InChIKeyYDPZVMQZDBJIQM-UHFFFAOYSA-N
XLogP3.62
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 90546104
1-(3-chloro-4-fluorophenyl)-3-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]urea
CID 90546264
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 90546125
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545945
3-methoxy-2-methyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]indazole-6-carboxamide
CID 90546179
5-cyclopropyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90546182
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108
4-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113192856
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
2-(2-chloro-6-fluorophenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546137

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide (CID 90545984) is 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide is CC1CCN(c2cc(NC(=O)c3ccc(Cl)cc3)ncn2)CC1.
What is the InChIKey of 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is YDPZVMQZDBJIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)21-17(23)13-2-4-14(18)5-3-13/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23).
What are the key properties of 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90545984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).