3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

C16H17IN2O — CID 55820021

IUPAC3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C16H17IN2O/c1-12(2)19(11-13-5-4-8-18-10-13)16(20)14-6-3-7-15(17)9-14/h3-10,12H,11H2,1-2H3
InChIKeyKBIIDQRKWFMUCH-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.74
Rot. Bonds4

About 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 55820021) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID55820021
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC Name3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cccc(I)c1
InChIInChI=1S/C16H17IN2O/c1-12(2)19(11-13-5-4-8-18-10-13)16(20)14-6-3-7-15(17)9-14/h3-10,12H,11H2,1-2H3
InChIKeyKBIIDQRKWFMUCH-UHFFFAOYSA-N
XLogP3.74
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61116038
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912
5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
(2S)-2-amino-3,3-dimethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 61164190
N-butan-2-yl-5-methyl-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 50980220
N-(4-phenylbutan-2-yl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 42796391

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (CID 55820021) is 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is CC(C)N(Cc1cccnc1)C(=O)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is KBIIDQRKWFMUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-12(2)19(11-13-5-4-8-18-10-13)16(20)14-6-3-7-15(17)9-14/h3-10,12H,11H2,1-2H3.
What are the key properties of 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 380.23 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 55820021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).