6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid

C19H21N3O3 — CID 154868469

IUPAC6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-13-17(10-14(11-20-13)19(24)25)18(23)21-12-16-8-5-9-22(16)15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3,(H,21,23)(H,24,25)
InChIKeyMBJMZVBEHCBDOB-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.49
Rot. Bonds5

About 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid

6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid (PubChem CID 154868469) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
PubChem CID154868469
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
SMILESCc1ncc(C(=O)O)cc1C(=O)NCC1CCCN1c1ccccc1
InChIInChI=1S/C19H21N3O3/c1-13-17(10-14(11-20-13)19(24)25)18(23)21-12-16-8-5-9-22(16)15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3,(H,21,23)(H,24,25)
InChIKeyMBJMZVBEHCBDOB-UHFFFAOYSA-N
XLogP2.49
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 73168268
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide
CID 99883062
2-methylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619767
2-ethylsulfanyl-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619780
3,4-difluoro-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 72719264
3,4-difluoro-N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]benzamide
CID 99903473
2-bromo-5-methoxy-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619796
1-methyl-3-phenyl-N-[(1-phenylpyrrolidin-2-yl)methyl]pyrazole-5-carboxamide
CID 90619862
N-[(1-phenylpyrrolidin-2-yl)methyl]-4-propan-2-yloxybenzamide
CID 90619775
N-[[(2S)-1-phenylpyrrolidin-2-yl]methyl]cyclobutanecarboxamide
CID 99903438
2-(3-methylphenoxy)-N-[(1-phenylpyrrolidin-2-yl)methyl]acetamide
CID 90619766
4-[(3-methylphenyl)sulfonylamino]-N-[(1-phenylpyrrolidin-2-yl)methyl]benzamide
CID 90619813

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid (CID 154868469) is 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid is Cc1ncc(C(=O)O)cc1C(=O)NCC1CCCN1c1ccccc1.
What is the InChIKey of 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
The InChIKey is MBJMZVBEHCBDOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-17(10-14(11-20-13)19(24)25)18(23)21-12-16-8-5-9-22(16)15-6-3-2-4-7-15/h2-4,6-7,10-11,16H,5,8-9,12H2,1H3,(H,21,23)(H,24,25).
What are the key properties of 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid?
6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid has a molecular weight of 339.40 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(1-phenylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid is sourced from PubChem (CID 154868469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).