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

C17H19IN4O — CID 90545945

IUPAC2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccccc3I)ncn2)CC1
InChIInChI=1S/C17H19IN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)21-17(23)13-4-2-3-5-14(13)18/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23)
InChIKeyMJPNOPCLMPJPOX-UHFFFAOYSA-N
MW422.27 g/mol
LogP3.57
Rot. Bonds3

About 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide

2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90545945) has the molecular formula C17H19IN4O and a molecular weight of 422.27 g/mol. Its IUPAC name is 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90545945
Molecular FormulaC17H19IN4O
Molecular Weight422.27 g/mol
Exact Mass422.06
IUPAC Name2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
SMILESCC1CCN(c2cc(NC(=O)c3ccccc3I)ncn2)CC1
InChIInChI=1S/C17H19IN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)21-17(23)13-4-2-3-5-14(13)18/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23)
InChIKeyMJPNOPCLMPJPOX-UHFFFAOYSA-N
XLogP3.57
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-phenylbenzamide
CID 90545933
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-4-(trifluoromethyl)benzamide
CID 90546033
methyl 2-[[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]amino]benzoate
CID 112856472
5-bromo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]furan-2-carboxamide
CID 90546108
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]pyrazine-2-carboxamide
CID 90546125
2-(4-methylphenyl)-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]acetamide
CID 90546048
N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3,5-bis(trifluoromethyl)benzamide
CID 90546104
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543726
5-cyclopropyl-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-1,2-oxazole-3-carboxamide
CID 90546182
1-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]-3-thiophen-2-ylurea
CID 90546262
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide (CID 90545945) is 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide is CC1CCN(c2cc(NC(=O)c3ccccc3I)ncn2)CC1.
What is the InChIKey of 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is MJPNOPCLMPJPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19IN4O/c1-12-6-8-22(9-7-12)16-10-15(19-11-20-16)21-17(23)13-4-2-3-5-14(13)18/h2-5,10-12H,6-9H2,1H3,(H,19,20,21,23).
What are the key properties of 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide?
2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 422.27 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90545945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).