1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

C17H19N3O — CID 114955945

IUPAC1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccncc1CNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H19N3O/c1-12-6-9-19-10-13(12)11-20-16(21)17(7-8-17)14-2-4-15(18)5-3-14/h2-6,9-10H,7-8,11,18H2,1H3,(H,20,21)
InChIKeyQYOUNVOFEHGYMN-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.32
Rot. Bonds4

About 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (PubChem CID 114955945) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
PubChem CID114955945
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccncc1CNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C17H19N3O/c1-12-6-9-19-10-13(12)11-20-16(21)17(7-8-17)14-2-4-15(18)5-3-14/h2-6,9-10H,7-8,11,18H2,1H3,(H,20,21)
InChIKeyQYOUNVOFEHGYMN-UHFFFAOYSA-N
XLogP2.32
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 ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 115913836
1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 115913622
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 112558317
4-[(Z)-N'-hydroxycarbamimidoyl]-N-[(4-methyl-3-pyridinyl)methyl]oxane-4-carboxamide
CID 114957243
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
1-(3-aminophenyl)-3-[(4-methyl-3-pyridinyl)methyl]urea
CID 114956458
1-carbamothioyl-3-methyl-N-[(4-methyl-3-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 114956193
5-amino-N-[(4-methyl-3-pyridinyl)methyl]pyrazine-2-carboxamide
CID 107377156
5-amino-2-fluoro-N-[(4-methyl-3-pyridinyl)methyl]benzamide
CID 114954363
1-[(4-methyl-3-pyridinyl)methyl]-3-propylurea
CID 114955224
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide (CID 114955945) is 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is Cc1ccncc1CNC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
The InChIKey is QYOUNVOFEHGYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-6-9-19-10-13(12)11-20-16(21)17(7-8-17)14-2-4-15(18)5-3-14/h2-6,9-10H,7-8,11,18H2,1H3,(H,20,21).
What are the key properties of 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 114955945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).