N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide

C20H24N4O2 — CID 47024872

IUPACN-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCCc1cccnc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-14(23-20(26)22-12-10-15-3-2-11-21-13-15)16-6-8-18(9-7-16)24-19(25)17-4-5-17/h2-3,6-9,11,13-14,17H,4-5,10,12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeySJVMQTAAQRRDIN-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.03
Rot. Bonds7

About N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide

N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (PubChem CID 47024872) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
PubChem CID47024872
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
SMILESCC(NC(=O)NCCc1cccnc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C20H24N4O2/c1-14(23-20(26)22-12-10-15-3-2-11-21-13-15)16-6-8-18(9-7-16)24-19(25)17-4-5-17/h2-3,6-9,11,13-14,17H,4-5,10,12H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeySJVMQTAAQRRDIN-UHFFFAOYSA-N
XLogP3.03
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(1S)-1-(pyridin-3-ylmethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 94038983
N-[4-[1-(benzylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 46584043
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
N-[4-[1-[[3-(2-methylpropoxy)phenyl]methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 60580885
N-[4-[1-(phenylmethoxycarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 42952735
N-[4-[1-[(1-phenylcyclopropyl)methylcarbamoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 42891913
1-[2-(4-prop-2-ynoxyphenyl)ethyl]-3-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]urea
CID 86875382
1-[(2R)-1-imidazol-1-ylpropan-2-yl]-3-(2-pyridin-3-ylethyl)urea
CID 95131187
4-N-phenyl-1-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109148792
N-[4-[1-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 46472498
1-[(1R)-1-phenylethyl]-3-(pyridin-3-ylmethyl)urea
CID 9115545
1-[1-(4-bromophenyl)ethyl]-3-(pyridin-3-ylmethyl)urea
CID 47014437

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide (CID 47024872) is N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is CC(NC(=O)NCCc1cccnc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
The InChIKey is SJVMQTAAQRRDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-14(23-20(26)22-12-10-15-3-2-11-21-13-15)16-6-8-18(9-7-16)24-19(25)17-4-5-17/h2-3,6-9,11,13-14,17H,4-5,10,12H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide?
N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-pyridin-3-ylethylcarbamoylamino)ethyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 47024872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).