2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid

C18H21N3O3 — CID 154844292

IUPAC2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCc2cccc(NC(C)C)c2)ccc1C(=O)O
InChIInChI=1S/C18H21N3O3/c1-11(2)20-14-6-4-5-13(9-14)10-19-17(22)16-8-7-15(18(23)24)12(3)21-16/h4-9,11,20H,10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyBJAYSNXIPHZVML-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.84
Rot. Bonds6

About 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid

2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 154844292) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID154844292
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1nc(C(=O)NCc2cccc(NC(C)C)c2)ccc1C(=O)O
InChIInChI=1S/C18H21N3O3/c1-11(2)20-14-6-4-5-13(9-14)10-19-17(22)16-8-7-15(18(23)24)12(3)21-16/h4-9,11,20H,10H2,1-3H3,(H,19,22)(H,23,24)
InChIKeyBJAYSNXIPHZVML-UHFFFAOYSA-N
XLogP2.84
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[3-(2-methylbutanoylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119181695
2-hydroxy-2-methyl-N-[[3-(propan-2-ylamino)phenyl]methyl]propanamide
CID 100630589
2-methyl-6-(1,3-thiazol-4-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 63824354
2-methyl-6-[[2-(methylamino)-2-oxoethyl]carbamoyl]pyridine-3-carboxylic acid
CID 43452983
2-methyl-6-(propan-2-ylamino)pyridine-3-carboxylic acid
CID 79885614
6-[(3-ethynylphenyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 43453019
6-[[3-(cyclobutanecarbonylamino)phenyl]methylcarbamoyl]pyridine-2-carboxylic acid
CID 119180393
2-N-benzyl-6-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094402
6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
2-N-benzyl-6-N-[(2-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097211
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
6-[(3-methoxyphenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61028665

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid (CID 154844292) is 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid is Cc1nc(C(=O)NCc2cccc(NC(C)C)c2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is BJAYSNXIPHZVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11(2)20-14-6-4-5-13(9-14)10-19-17(22)16-8-7-15(18(23)24)12(3)21-16/h4-9,11,20H,10H2,1-3H3,(H,19,22)(H,23,24).
What are the key properties of 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid?
2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 2.84, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[3-(propan-2-ylamino)phenyl]methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154844292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).