5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide

C12H14N4OS — CID 62057948

IUPAC5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2ncc(N)cc2C(N)=O)s1
InChIInChI=1S/C12H14N4OS/c1-7-2-3-9(18-7)6-16-12-10(11(14)17)4-8(13)5-15-12/h2-5H,6,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyCBUVREMAFVVGNK-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.74
Rot. Bonds4

About 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide

5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide (PubChem CID 62057948) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
PubChem CID62057948
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide
SMILESCc1ccc(CNc2ncc(N)cc2C(N)=O)s1
InChIInChI=1S/C12H14N4OS/c1-7-2-3-9(18-7)6-16-12-10(11(14)17)4-8(13)5-15-12/h2-5H,6,13H2,1H3,(H2,14,17)(H,15,16)
InChIKeyCBUVREMAFVVGNK-UHFFFAOYSA-N
XLogP1.74
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-(ethylamino)pyridine-3-carboxamide
CID 61357419
5-amino-2-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 61359752
5-amino-2-[(2-chlorophenyl)methylamino]pyridine-3-carboxamide
CID 61358389
5-amino-2-[(2-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 61357803
5-amino-2-[(1,3-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 112668337
2-methyl-3-[(5-methylthiophen-2-yl)methylamino]benzamide
CID 43694008
methyl 5-amino-3-chloro-2-[(5-methylthiophen-2-yl)methylamino]benzoate
CID 107195585
5-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]pyridine-3-carboxamide
CID 106166474
5-amino-N-[(5-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 81317234
2-N-[(5-methylthiophen-2-yl)methyl]pyridine-2,3-diamine
CID 62058092
6-methyl-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxylic acid
CID 62710803
5-amino-2-(cyclohexylmethylamino)pyridine-3-carboxamide
CID 61359178

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide (CID 62057948) is 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide is Cc1ccc(CNc2ncc(N)cc2C(N)=O)s1.
What is the InChIKey of 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide?
The InChIKey is CBUVREMAFVVGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-2-3-9(18-7)6-16-12-10(11(14)17)4-8(13)5-15-12/h2-5H,6,13H2,1H3,(H2,14,17)(H,15,16).
What are the key properties of 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide?
5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 1.74, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(5-methylthiophen-2-yl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 62057948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).