N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide

C17H19N3O — CID 106910544

IUPACN-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H19N3O/c1-12-3-2-10-18-16(12)17(21)20-15-6-4-13(5-7-15)11-19-14-8-9-14/h2-7,10,14,19H,8-9,11H2,1H3,(H,20,21)
InChIKeyZXLMQQQHQPETHG-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.89
Rot. Bonds5

About N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide

N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide (PubChem CID 106910544) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
PubChem CID106910544
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc(CNC2CC2)cc1
InChIInChI=1S/C17H19N3O/c1-12-3-2-10-18-16(12)17(21)20-15-6-4-13(5-7-15)11-19-14-8-9-14/h2-7,10,14,19H,8-9,11H2,1H3,(H,20,21)
InChIKeyZXLMQQQHQPETHG-UHFFFAOYSA-N
XLogP2.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 62340011
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469
N-[4-[(cyclopropylamino)methyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 106910526
4-[[(3-methylpyridine-2-carbonyl)amino]methyl]benzoic acid
CID 62341325
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
CID 103789491
N-(3-fluoro-4-methylphenyl)-3-[(4-methylphenyl)methylamino]pyridine-2-carboxamide
CID 59080484
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[4-[(cyclopropylamino)methyl]phenyl]-2,2-dimethylbutanamide
CID 106910518
N-cyclopentyloxy-3-methylpyridine-2-carboxamide
CID 83202115
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 106910952

Frequently Asked Questions

What is the IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide (CID 106910544) is N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1ccc(CNC2CC2)cc1.
What is the InChIKey of N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide?
The InChIKey is ZXLMQQQHQPETHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-3-2-10-18-16(12)17(21)20-15-6-4-13(5-7-15)11-19-14-8-9-14/h2-7,10,14,19H,8-9,11H2,1H3,(H,20,21).
What are the key properties of N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide?
N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 106910544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).