N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide

C15H16IN3O — CID 63499869

IUPACN-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C15H16IN3O/c1-2-7-17-12-6-8-18-14(10-12)15(20)19-13-5-3-4-11(16)9-13/h3-6,8-10H,2,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNHDLZDAIMIPXJS-UHFFFAOYSA-N
MW381.22 g/mol
LogP3.76
Rot. Bonds5

About N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide

N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide (PubChem CID 63499869) has the molecular formula C15H16IN3O and a molecular weight of 381.22 g/mol. Its IUPAC name is N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
PubChem CID63499869
Molecular FormulaC15H16IN3O
Molecular Weight381.22 g/mol
Exact Mass381.03
IUPAC NameN-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccnc(C(=O)Nc2cccc(I)c2)c1
InChIInChI=1S/C15H16IN3O/c1-2-7-17-12-6-8-18-14(10-12)15(20)19-13-5-3-4-11(16)9-13/h3-6,8-10H,2,7H2,1H3,(H,17,18)(H,19,20)
InChIKeyNHDLZDAIMIPXJS-UHFFFAOYSA-N
XLogP3.76
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.22
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-(2,6-difluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62165268
4-(butylamino)-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109202744
N-(2-fluorophenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62166215
N-(3-acetylphenyl)-4-(butylamino)pyridine-2-carboxamide
CID 109202795
N-(4-acetylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201249
4-(propylamino)-N-pyridin-2-ylpyridine-2-carboxamide
CID 55042694
N-[2,6-di(propan-2-yl)phenyl]-4-(propylamino)pyridine-2-carboxamide
CID 109201269
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(2-propan-2-ylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201226
N-(2-ethoxyphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 109201237
N-(3-bromo-5-methylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 107578587

Frequently Asked Questions

What is the IUPAC name of N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide (CID 63499869) is N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide is CCCNc1ccnc(C(=O)Nc2cccc(I)c2)c1.
What is the InChIKey of N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide?
The InChIKey is NHDLZDAIMIPXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16IN3O/c1-2-7-17-12-6-8-18-14(10-12)15(20)19-13-5-3-4-11(16)9-13/h3-6,8-10H,2,7H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide?
N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide has a molecular weight of 381.22 g/mol, XLogP of 3.76, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iodophenyl)-4-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 63499869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).