N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide

C22H28N2O3 — CID 26363492

IUPACN-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccnc2)C2CCCC2)cc1OC(C)C
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-13-17(10-11-20(21)26-3)15-24(19-8-4-5-9-19)22(25)18-7-6-12-23-14-18/h6-7,10-14,16,19H,4-5,8-9,15H2,1-3H3
InChIKeyQTLARFFMXAZHPT-UHFFFAOYSA-N
MW368.48 g/mol
LogP4.46
Rot. Bonds7

About N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide

N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide (PubChem CID 26363492) has the molecular formula C22H28N2O3 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
PubChem CID26363492
Molecular FormulaC22H28N2O3
Molecular Weight368.48 g/mol
Exact Mass368.21
IUPAC NameN-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide
SMILESCOc1ccc(CN(C(=O)c2cccnc2)C2CCCC2)cc1OC(C)C
InChIInChI=1S/C22H28N2O3/c1-16(2)27-21-13-17(10-11-20(21)26-3)15-24(19-8-4-5-9-19)22(25)18-7-6-12-23-14-18/h6-7,10-14,16,19H,4-5,8-9,15H2,1-3H3
InChIKeyQTLARFFMXAZHPT-UHFFFAOYSA-N
XLogP4.46
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2,4-dimethoxy-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]benzamide
CID 42472057
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-methoxybenzamide
CID 22778466
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-(2-methylpropoxy)benzamide
CID 23096416
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-ethoxybenzamide
CID 22781242
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-3-chloro-N-cyclohexylbenzamide
CID 22779363
3-methoxy-N-methyl-4-propan-2-yloxy-N-(pyridin-3-ylmethyl)benzamide
CID 86932709
N-[[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methyl]-N-cyclohexyl-3-propoxybenzamide
CID 22783057
N-[2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39023791
N-[(3,4-dimethoxyphenyl)methyl]-N-[(3S)-1,1-dioxothiolan-3-yl]-3-methoxybenzamide
CID 7123350
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] pyridine-3-carboxylate
CID 9413378
N-cyclopentyl-N-[[6-[4-(hydroxymethyl)piperidin-1-yl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 69188742
N-(3-aminopropyl)-N-cyclopentylpyridine-3-carboxamide
CID 43136838

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide (CID 26363492) is N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide is COc1ccc(CN(C(=O)c2cccnc2)C2CCCC2)cc1OC(C)C.
What is the InChIKey of N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
The InChIKey is QTLARFFMXAZHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3/c1-16(2)27-21-13-17(10-11-20(21)26-3)15-24(19-8-4-5-9-19)22(25)18-7-6-12-23-14-18/h6-7,10-14,16,19H,4-5,8-9,15H2,1-3H3.
What are the key properties of N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide?
N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 4.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-[(4-methoxy-3-propan-2-yloxyphenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 26363492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).