N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide

C17H19N3O — CID 118483857

IUPACN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide
SMILESCC[C@]1(N)C[C@H]1c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H19N3O/c1-2-17(18)11-15(17)12-3-5-14(6-4-12)20-16(21)13-7-9-19-10-8-13/h3-10,15H,2,11,18H2,1H3,(H,20,21)/t15-,17-/m0/s1
InChIKeyJJDOOHLRCRBPGH-RDJZCZTQSA-N
MW281.36 g/mol
LogP2.93
Rot. Bonds4

About N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide

N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide (PubChem CID 118483857) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide
PubChem CID118483857
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide
SMILESCC[C@]1(N)C[C@H]1c1ccc(NC(=O)c2ccncc2)cc1
InChIInChI=1S/C17H19N3O/c1-2-17(18)11-15(17)12-3-5-14(6-4-12)20-16(21)13-7-9-19-10-8-13/h3-10,15H,2,11,18H2,1H3,(H,20,21)/t15-,17-/m0/s1
InChIKeyJJDOOHLRCRBPGH-RDJZCZTQSA-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

N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-pyridin-4-ylbenzamide;dihydrochloride
CID 118483954
N-[4-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 74763834
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]-4-(furan-3-yl)benzamide;hydrochloride
CID 118483850
N-[3-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]benzamide
CID 90205042
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-4-(2-oxo-1,3-oxazolidin-3-yl)benzamide;hydrochloride
CID 118483829
N-[3-[(1S,2R)-2-amino-2-ethylcyclopropyl]phenyl]-4-phenylbenzamide
CID 90212569
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273
N-[4-(ethylaminomethyl)phenyl]pyridine-4-carboxamide
CID 106910118
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
N-[4-(2-amino-2-ethylcyclopropyl)phenyl]-2-chloro-4-(1-hydroxyethylamino)benzamide
CID 141421194
N-[4-[(1S,2R)-2-amino-2-(naphthalen-2-ylmethyl)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90198019
cis-(1R,2S)-1-ethyl-2-[4-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 90212559

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide (CID 118483857) is N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide is CC[C@]1(N)C[C@H]1c1ccc(NC(=O)c2ccncc2)cc1.
What is the InChIKey of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide?
The InChIKey is JJDOOHLRCRBPGH-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-17(18)11-15(17)12-3-5-14(6-4-12)20-16(21)13-7-9-19-10-8-13/h3-10,15H,2,11,18H2,1H3,(H,20,21)/t15-,17-/m0/s1.
What are the key properties of N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide?
N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide 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 N-[4-[(1S,2S)-2-amino-2-ethylcyclopropyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 118483857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).