4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide

C17H19N3O — CID 69455036

IUPAC4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide
SMILESCC(c1ccc(C(=O)Nc2ccncc2)cc1)C1(N)CC1
InChIInChI=1S/C17H19N3O/c1-12(17(18)8-9-17)13-2-4-14(5-3-13)16(21)20-15-6-10-19-11-7-15/h2-7,10-12H,8-9,18H2,1H3,(H,19,20,21)
InChIKeyRCEPXRNNRQRKBO-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.93
Rot. Bonds4

About 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide

4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide (PubChem CID 69455036) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide
PubChem CID69455036
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide
SMILESCC(c1ccc(C(=O)Nc2ccncc2)cc1)C1(N)CC1
InChIInChI=1S/C17H19N3O/c1-12(17(18)8-9-17)13-2-4-14(5-3-13)16(21)20-15-6-10-19-11-7-15/h2-7,10-12H,8-9,18H2,1H3,(H,19,20,21)
InChIKeyRCEPXRNNRQRKBO-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
4-(1,4-diamino-1-oxobutan-2-yl)-N-pyridin-4-ylbenzamide
CID 174561502
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
CID 67536779
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
4-[[(1-aminocyclopentanecarbonyl)amino]methyl]-N-pyridin-4-ylbenzamide
CID 119864752
4-propan-2-yl-N-(4-propan-2-ylphenyl)benzamide
CID 1406437
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252
4-ethyl-N-pyridin-4-ylbenzamide
CID 2712552
N-[4-[(1S)-1-(2-methylpropanoylamino)ethyl]phenyl]pyridine-4-carboxamide
CID 95378036
4-[(Z)-N'-hydroxycarbamimidoyl]-N-pyridin-4-ylbenzamide
CID 58946084
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide (CID 69455036) is 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide is CC(c1ccc(C(=O)Nc2ccncc2)cc1)C1(N)CC1.
What is the InChIKey of 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide?
The InChIKey is RCEPXRNNRQRKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12(17(18)8-9-17)13-2-4-14(5-3-13)16(21)20-15-6-10-19-11-7-15/h2-7,10-12H,8-9,18H2,1H3,(H,19,20,21).
What are the key properties of 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide?
4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide has a molecular weight of 281.36 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-aminocyclopropyl)ethyl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 69455036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).