2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide

C12H13N5O — CID 114195109

IUPAC2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide
SMILESCc1ccncc1Nc1cnc(N)cc1C(N)=O
InChIInChI=1S/C12H13N5O/c1-7-2-3-15-5-9(7)17-10-6-16-11(13)4-8(10)12(14)18/h2-6,17H,1H3,(H2,13,16)(H2,14,18)
InChIKeyVODGBWVREVZJAG-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.21
Rot. Bonds3

About 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide

2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide (PubChem CID 114195109) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide
PubChem CID114195109
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide
SMILESCc1ccncc1Nc1cnc(N)cc1C(N)=O
InChIInChI=1S/C12H13N5O/c1-7-2-3-15-5-9(7)17-10-6-16-11(13)4-8(10)12(14)18/h2-6,17H,1H3,(H2,13,16)(H2,14,18)
InChIKeyVODGBWVREVZJAG-UHFFFAOYSA-N
XLogP1.21
TPSA106.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[(4-methyl-3-pyridinyl)amino]benzamide
CID 55202661
2-amino-5-(5-iodo-2-methylanilino)pyridine-4-carboxamide
CID 114257930
2-amino-5-(2-methoxyanilino)pyridine-4-carboxamide
CID 114194675
methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate
CID 114090358
3-methyl-4-[(4-methyl-3-pyridinyl)amino]benzenecarbothioamide
CID 55202273
3-(2-fluoro-4-methylanilino)pyridine-4-carboxamide
CID 143220427
2-amino-5-(3-ethylanilino)pyridine-4-carboxamide
CID 114194765
2-amino-5-(4-bromo-3-iodoanilino)pyridine-4-carboxamide
CID 114261361
5-amino-2-[(2,4-dimethyl-3-pyridinyl)amino]pyridine-4-carboxamide
CID 112741975
2-amino-5-[[2-(tert-butylamino)-2-oxoethyl]amino]pyridine-4-carboxamide
CID 114195291
2-amino-5-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]pyridine-4-carboxamide
CID 114195265
3-(2,4-dimethylanilino)pyridine-4-carbothioamide
CID 114288096

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide (CID 114195109) is 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide is Cc1ccncc1Nc1cnc(N)cc1C(N)=O.
What is the InChIKey of 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide?
The InChIKey is VODGBWVREVZJAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7-2-3-15-5-9(7)17-10-6-16-11(13)4-8(10)12(14)18/h2-6,17H,1H3,(H2,13,16)(H2,14,18).
What are the key properties of 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide?
2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 114195109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).