N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide

C19H22N4O2 — CID 94038983

IUPACN-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)NCc1cccnc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H22N4O2/c1-13(22-19(25)21-12-14-3-2-10-20-11-14)15-6-8-17(9-7-15)23-18(24)16-4-5-16/h2-3,6-11,13,16H,4-5,12H2,1H3,(H,23,24)(H2,21,22,25)/t13-/m0/s1
InChIKeyVSPUHIHDZVCWJW-ZDUSSCGKSA-N
MW338.41 g/mol
LogP2.99
Rot. Bonds6

About N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 94038983) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID94038983
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESC[C@H](NC(=O)NCc1cccnc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C19H22N4O2/c1-13(22-19(25)21-12-14-3-2-10-20-11-14)15-6-8-17(9-7-15)23-18(24)16-4-5-16/h2-3,6-11,13,16H,4-5,12H2,1H3,(H,23,24)(H2,21,22,25)/t13-/m0/s1
InChIKeyVSPUHIHDZVCWJW-ZDUSSCGKSA-N
XLogP2.99
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 47024872
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 60580885
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
N-[3-[[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoylamino]methyl]phenyl]furan-2-carboxamide
CID 55629630
N-[4-[1-[[1-(4-chlorophenyl)pyrazol-4-yl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 86970018
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
N-[4-[(1R)-1-[(3-methylthiophen-2-yl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 33420187
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 94038983) is N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is C[C@H](NC(=O)NCc1cccnc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is VSPUHIHDZVCWJW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13(22-19(25)21-12-14-3-2-10-20-11-14)15-6-8-17(9-7-15)23-18(24)16-4-5-16/h2-3,6-11,13,16H,4-5,12H2,1H3,(H,23,24)(H2,21,22,25)/t13-/m0/s1.
What are the key properties of N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.99, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 94038983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).