2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide

C13H13IN4O — CID 114257930

IUPAC2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide
SMILESCc1ccc(I)cc1Nc1cnc(N)cc1C(N)=O
InChIInChI=1S/C13H13IN4O/c1-7-2-3-8(14)4-10(7)18-11-6-17-12(15)5-9(11)13(16)19/h2-6,18H,1H3,(H2,15,17)(H2,16,19)
InChIKeyUMQJWBKHPFGAMT-UHFFFAOYSA-N
MW368.18 g/mol
LogP2.42
Rot. Bonds3

About 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide

2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide (PubChem CID 114257930) has the molecular formula C13H13IN4O and a molecular weight of 368.18 g/mol. Its IUPAC name is 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide
PubChem CID114257930
Molecular FormulaC13H13IN4O
Molecular Weight368.18 g/mol
Exact Mass368.01
IUPAC Name2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide
SMILESCc1ccc(I)cc1Nc1cnc(N)cc1C(N)=O
InChIInChI=1S/C13H13IN4O/c1-7-2-3-8(14)4-10(7)18-11-6-17-12(15)5-9(11)13(16)19/h2-6,18H,1H3,(H2,15,17)(H2,16,19)
InChIKeyUMQJWBKHPFGAMT-UHFFFAOYSA-N
XLogP2.42
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide
CID 114195109
3-amino-2-(5-iodo-2-methylanilino)benzamide
CID 114257924
2-amino-5-(2-methoxyanilino)pyridine-4-carboxamide
CID 114194675
5-iodo-2-(4-iodo-2-methylanilino)benzamide
CID 142657189
2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide
CID 114261361
2-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carboxamide
CID 114195265
2-amino-5-(3-ethylanilino)pyridine-4-carboxamide
CID 114194765
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridine-4-carboxamide
CID 114195291
5-amino-2-[(4-methyl-3-pyridinyl)amino]benzamide
CID 55202661
2-amino-5-[(4-methylcyclohexyl)amino]pyridine-4-carboxamide
CID 114194775
2-amino-5-chloro-N-(2-chloro-4-iodophenyl)pyridine-4-carboxamide
CID 107606018
2-N-(5-iodo-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 2730318

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide (CID 114257930) is 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide is Cc1ccc(I)cc1Nc1cnc(N)cc1C(N)=O.
What is the InChIKey of 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide?
The InChIKey is UMQJWBKHPFGAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN4O/c1-7-2-3-8(14)4-10(7)18-11-6-17-12(15)5-9(11)13(16)19/h2-6,18H,1H3,(H2,15,17)(H2,16,19).
What are the key properties of 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide?
2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide has a molecular weight of 368.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 114257930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).