N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

C16H16IN3O — CID 112773692

IUPACN-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C16H16IN3O/c17-12-4-3-5-13(10-12)19-16(21)15-11-14(6-7-18-15)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21)
InChIKeyNYUKCPMIOXHAQD-UHFFFAOYSA-N
MW393.23 g/mol
LogP3.54
Rot. Bonds3

About N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide

N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 112773692) has the molecular formula C16H16IN3O and a molecular weight of 393.23 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID112773692
Molecular FormulaC16H16IN3O
Molecular Weight393.23 g/mol
Exact Mass393.03
IUPAC NameN-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(I)c1)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C16H16IN3O/c17-12-4-3-5-13(10-12)19-16(21)15-11-14(6-7-18-15)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21)
InChIKeyNYUKCPMIOXHAQD-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203933
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
4-(azepan-1-yl)-N-(4-chlorophenyl)pyridine-2-carboxamide
CID 109218660
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
4-(azepan-1-yl)-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109218661
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
4-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-2-carboxamide
CID 109209220
4-(azepan-1-yl)-N-quinolin-8-ylpyridine-2-carboxamide
CID 109218708
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
4-piperidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109204680

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 112773692) is N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is O=C(Nc1cccc(I)c1)c1cc(N2CCCC2)ccn1.
What is the InChIKey of N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is NYUKCPMIOXHAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O/c17-12-4-3-5-13(10-12)19-16(21)15-11-14(6-7-18-15)20-8-1-2-9-20/h3-7,10-11H,1-2,8-9H2,(H,19,21).
What are the key properties of N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide?
N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 393.23 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 112773692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).