N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide

C21H25N3O3 — CID 72916898

IUPACN-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1OC1CCN(c2cc(C(=O)NC3CC3)ccn2)CC1
InChIInChI=1S/C21H25N3O3/c1-26-18-4-2-3-5-19(18)27-17-9-12-24(13-10-17)20-14-15(8-11-22-20)21(25)23-16-6-7-16/h2-5,8,11,14,16-17H,6-7,9-10,12-13H2,1H3,(H,23,25)
InChIKeyTTZLFJLGNJJDAN-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.03
Rot. Bonds6

About N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide

N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide (PubChem CID 72916898) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
PubChem CID72916898
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide
SMILESCOc1ccccc1OC1CCN(c2cc(C(=O)NC3CC3)ccn2)CC1
InChIInChI=1S/C21H25N3O3/c1-26-18-4-2-3-5-19(18)27-17-9-12-24(13-10-17)20-14-15(8-11-22-20)21(25)23-16-6-7-16/h2-5,8,11,14,16-17H,6-7,9-10,12-13H2,1H3,(H,23,25)
InChIKeyTTZLFJLGNJJDAN-UHFFFAOYSA-N
XLogP3.03
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyridine-4-carboxamide
CID 109166043
3-(1-cyclobutylpiperidin-4-yl)oxy-N-cyclopropyl-4-methoxybenzamide
CID 42120029
N-(4-aminocyclohexyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 119478490
N-cyclopropyl-4-methoxy-3-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]oxybenzamide
CID 24817407
methyl 2-[2-methoxy-4-[(1-pyridin-2-ylpiperidin-4-yl)carbamoyl]phenoxy]acetate
CID 55776583
N-cyclopropyl-2-(4-morpholin-4-ylpiperidin-1-yl)pyridine-4-carboxamide
CID 117083309
2-(cyclobutylamino)-N-(1-pyridazin-3-ylpiperidin-4-yl)pyridine-4-carboxamide
CID 166254401
N-cyclopropyl-4-methoxy-3-[1-(3-phenylbutyl)piperidin-4-yl]oxybenzamide
CID 45232215
2-[4-(cyclopentylcarbamoyl)piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 20867008
2-(4-methylpiperidin-1-yl)-N-(3,4,5-trimethoxyphenyl)pyridine-4-carboxamide
CID 109166542
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide (CID 72916898) is N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide is COc1ccccc1OC1CCN(c2cc(C(=O)NC3CC3)ccn2)CC1.
What is the InChIKey of N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide?
The InChIKey is TTZLFJLGNJJDAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-26-18-4-2-3-5-19(18)27-17-9-12-24(13-10-17)20-14-15(8-11-22-20)21(25)23-16-6-7-16/h2-5,8,11,14,16-17H,6-7,9-10,12-13H2,1H3,(H,23,25).
What are the key properties of N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide?
N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide has a molecular weight of 367.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(2-methoxyphenoxy)piperidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 72916898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).