N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide

C17H19N3O — CID 106910952

IUPACN-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC3CC3)c2)cn1
InChIInChI=1S/C17H19N3O/c1-12-5-6-14(11-18-12)17(21)20-16-4-2-3-13(9-16)10-19-15-7-8-15/h2-6,9,11,15,19H,7-8,10H2,1H3,(H,20,21)
InChIKeySYHVOTITSBUAIE-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.89
Rot. Bonds5

About N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide

N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 106910952) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
PubChem CID106910952
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CNC3CC3)c2)cn1
InChIInChI=1S/C17H19N3O/c1-12-5-6-14(11-18-12)17(21)20-16-4-2-3-13(9-16)10-19-15-7-8-15/h2-6,9,11,15,19H,7-8,10H2,1H3,(H,20,21)
InChIKeySYHVOTITSBUAIE-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

N-[3-[(cyclopropylamino)methyl]phenyl]-3-methylbenzamide
CID 106910927
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-6-methylpyridine-3-carboxamide
CID 30342481
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106910888
N-[3-[(cyclopropylamino)methyl]phenyl]-3-fluorobenzamide
CID 106910873
N-(3-hydroxyphenyl)-6-methylpyridine-3-carboxamide
CID 28739709
3-[(6-methylpyridine-3-carbonyl)amino]benzoic acid
CID 16793648
propan-2-yl N-[3-[(cyclopropylamino)methyl]phenyl]carbamate
CID 106911597
2-cyclopropyl-N-[3-[(cyclopropylamino)methyl]phenyl]propanamide
CID 106910945
5-methyl-N-[3-(methylaminomethyl)phenyl]pyrazine-2-carboxamide
CID 43601855
N-[(6-methyl-3-pyridinyl)methyl]cyclopropanamine
CID 43163855
N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 86901727
6-methyl-N-[4-(phenylcarbamoylamino)phenyl]pyridine-3-carboxamide
CID 38477101

Frequently Asked Questions

What is the IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide (CID 106910952) is N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(CNC3CC3)c2)cn1.
What is the InChIKey of N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is SYHVOTITSBUAIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-6-14(11-18-12)17(21)20-16-4-2-3-13(9-16)10-19-15-7-8-15/h2-6,9,11,15,19H,7-8,10H2,1H3,(H,20,21).
What are the key properties of N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide?
N-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-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-[3-[(cyclopropylamino)methyl]phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 106910952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).