N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide

C17H19N3O — CID 155288152

IUPACN-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CN
InChIInChI=1S/C17H19N3O/c1-11-8-13(4-5-15(11)10-18)14-6-7-19-16(9-14)20-17(21)12-2-3-12/h4-9,12H,2-3,10,18H2,1H3,(H,19,20,21)
InChIKeySGVOHTJHQQJJFP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.86
Rot. Bonds4

About N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 155288152) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
PubChem CID155288152
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
SMILESCc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CN
InChIInChI=1S/C17H19N3O/c1-11-8-13(4-5-15(11)10-18)14-6-7-19-16(9-14)20-17(21)12-2-3-12/h4-9,12H,2-3,10,18H2,1H3,(H,19,20,21)
InChIKeySGVOHTJHQQJJFP-UHFFFAOYSA-N
XLogP2.86
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[3-(5-tert-butyl-1,3-oxazol-2-yl)-3-oxopropyl]-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 167679607
N-[4-[3-methyl-4-[(2R)-2-methylpyrrolidin-1-yl]phenyl]-2-pyridinyl]cyclopropanecarboxamide
CID 129261123
1-tert-butyl-N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-methylphenyl]methyl]pyrazole-3-carboxamide
CID 155288086
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
1-[2-chloro-4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]phenyl]ethylcarbamic acid
CID 155288407
N-[4-(5-cyclopropyl-2-methyl-1H-imidazol-4-yl)-2-pyridinyl]cyclopropanecarboxamide
CID 155562118
N-[4-(5-amino-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)-2-pyridinyl]cyclopropanecarboxamide;hydrochloride
CID 155288307
N-(4-bromo-2-pyridinyl)cyclopropanecarboxamide;tert-butyl N-[[4-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-2-methylphenyl]methyl]carbamate;tert-butyl N-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 167680367
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
ethyl 2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-[2-(2-fluoroethoxy)ethoxy]-1,3-thiazole-5-carboxylate
CID 171350116
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide (CID 155288152) is N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide is Cc1cc(-c2ccnc(NC(=O)C3CC3)c2)ccc1CN.
What is the InChIKey of N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
The InChIKey is SGVOHTJHQQJJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-11-8-13(4-5-15(11)10-18)14-6-7-19-16(9-14)20-17(21)12-2-3-12/h4-9,12H,2-3,10,18H2,1H3,(H,19,20,21).
What are the key properties of N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide?
N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(aminomethyl)-3-methylphenyl]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 155288152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).