N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide

C19H22N2O2 — CID 46998435

IUPACN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
SMILESCCOc1cccc(CN(C(=O)c2cnccc2C)C2CC2)c1
InChIInChI=1S/C19H22N2O2/c1-3-23-17-6-4-5-15(11-17)13-21(16-7-8-16)19(22)18-12-20-10-9-14(18)2/h4-6,9-12,16H,3,7-8,13H2,1-2H3
InChIKeyGHKIGHFUCVXPHI-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.59
Rot. Bonds6

About N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide

N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide (PubChem CID 46998435) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
PubChem CID46998435
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC NameN-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide
SMILESCCOc1cccc(CN(C(=O)c2cnccc2C)C2CC2)c1
InChIInChI=1S/C19H22N2O2/c1-3-23-17-6-4-5-15(11-17)13-21(16-7-8-16)19(22)18-12-20-10-9-14(18)2/h4-6,9-12,16H,3,7-8,13H2,1-2H3
InChIKeyGHKIGHFUCVXPHI-UHFFFAOYSA-N
XLogP3.59
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-[(2-methoxyacetyl)amino]benzamide
CID 50975306
4-chloro-N-cyclopropyl-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 81228554
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-(2-methylsulfanylethyl)urea
CID 119065491
N-cyclopropyl-N-[(4-ethoxyphenyl)methyl]-3-pyrazin-2-ylbenzamide
CID 118763811
4-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 81229618
1-cyclopropyl-1-[(3-ethoxyphenyl)methyl]-3-[[(3R)-1-ethylpyrrolidin-3-yl]methyl]urea
CID 126442915
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-2-(2,2,3,3-tetrafluoropropoxy)acetamide
CID 46985229
N-cyclopropyl-4-methyl-N-[[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]benzamide
CID 26320335
3-chloro-N-cyclopropyl-N-[(4-methylphenyl)methyl]pyridine-4-carboxamide
CID 66484894
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-3-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 46996074
N-[(3-ethoxyphenyl)methyl]-N-propylazetidin-3-amine
CID 66184588
[3-[[acetyl(cyclopropyl)amino]methyl]phenyl] methanesulfonate
CID 42669661

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide (CID 46998435) is N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide is CCOc1cccc(CN(C(=O)c2cnccc2C)C2CC2)c1.
What is the InChIKey of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide?
The InChIKey is GHKIGHFUCVXPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-3-23-17-6-4-5-15(11-17)13-21(16-7-8-16)19(22)18-12-20-10-9-14(18)2/h4-6,9-12,16H,3,7-8,13H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide?
N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(3-ethoxyphenyl)methyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 46998435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).