2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide

C19H22N4O2 — CID 56823788

IUPAC2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H22N4O2/c1-13-9-17(13)18(24)21-12-15-3-2-4-16(10-15)23-19(25)22-11-14-5-7-20-8-6-14/h2-8,10,13,17H,9,11-12H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyIMZAQJZJLBRPET-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.68
Rot. Bonds6

About 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide

2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 56823788) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID56823788
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide
SMILESCC1CC1C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1
InChIInChI=1S/C19H22N4O2/c1-13-9-17(13)18(24)21-12-15-3-2-4-16(10-15)23-19(25)22-11-14-5-7-20-8-6-14/h2-8,10,13,17H,9,11-12H2,1H3,(H,21,24)(H2,22,23,25)
InChIKeyIMZAQJZJLBRPET-UHFFFAOYSA-N
XLogP2.68
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 ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide with MolForge

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Related Compounds

(2R)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]piperidine-2-carboxamide;dihydrochloride
CID 119874536
(2S)-N-benzyl-2-methylcyclopropane-1-carboxamide
CID 164843692
tert-butyl N-[[3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]phenyl]methyl]carbamate
CID 95302565
4-amino-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]pentanamide;dihydrochloride
CID 120565299
3-amino-N-[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119874592
methyl 3-(pyridin-4-ylmethylcarbamoylamino)benzoate
CID 110706370
1-[3-(1-hydroxyethyl)phenyl]-3-(pyridin-4-ylmethyl)urea
CID 61346080
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
2-(3-fluorophenyl)-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]propanamide
CID 166214452
2-amino-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237334
N-[3-[[[(1R)-1-pyridin-4-ylethyl]carbamoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 25349133
1-[4-[(3-methylphenyl)methylsulfamoyl]phenyl]-3-(pyridin-4-ylmethyl)urea
CID 135222648

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide (CID 56823788) is 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide is CC1CC1C(=O)NCc1cccc(NC(=O)NCc2ccncc2)c1.
What is the InChIKey of 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is IMZAQJZJLBRPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-9-17(13)18(24)21-12-15-3-2-4-16(10-15)23-19(25)22-11-14-5-7-20-8-6-14/h2-8,10,13,17H,9,11-12H2,1H3,(H,21,24)(H2,22,23,25).
What are the key properties of 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide?
2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(pyridin-4-ylmethylcarbamoylamino)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56823788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).