N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide

C19H22N4O2 — CID 47016815

IUPACN-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCN(c3ccccc3O)CC2)nc1
InChIInChI=1S/C19H22N4O2/c24-17-4-2-1-3-16(17)22-9-11-23(12-10-22)18-8-5-14(13-20-18)19(25)21-15-6-7-15/h1-5,8,13,15,24H,6-7,9-12H2,(H,21,25)
InChIKeyWRPVZHIVWIQESE-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.01
Rot. Bonds4

About N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide

N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 47016815) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID47016815
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESO=C(NC1CC1)c1ccc(N2CCN(c3ccccc3O)CC2)nc1
InChIInChI=1S/C19H22N4O2/c24-17-4-2-1-3-16(17)22-9-11-23(12-10-22)18-8-5-14(13-20-18)19(25)21-15-6-7-15/h1-5,8,13,15,24H,6-7,9-12H2,(H,21,25)
InChIKeyWRPVZHIVWIQESE-UHFFFAOYSA-N
XLogP2.01
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(azetidin-1-yl)-N-[4-(pyridin-2-ylamino)cyclohexyl]pyridine-3-carboxamide
CID 136584132
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
cis-(1S,3R)-3-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675336
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109152244
N-cyclopropyl-6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 71891796
6-[3-(2-chlorobenzoyl)-1,3-diazinan-1-yl]-N-cyclopropylpyridine-3-carboxamide
CID 69399827
N-cyclopropyl-4-(2-hydroxyphenyl)piperazine-1-carboxamide
CID 47127245
N-piperidin-3-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119425253
N-cyclopentyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249585
N-cyclopentyl-2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 109249582
4-(trifluoromethyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]benzamide
CID 46475049
6-(dimethylamino)-N-(1-pyridin-2-ylpiperidin-4-yl)pyridine-3-carboxamide
CID 86989964

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide (CID 47016815) is N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide is O=C(NC1CC1)c1ccc(N2CCN(c3ccccc3O)CC2)nc1.
What is the InChIKey of N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is WRPVZHIVWIQESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c24-17-4-2-1-3-16(17)22-9-11-23(12-10-22)18-8-5-14(13-20-18)19(25)21-15-6-7-15/h1-5,8,13,15,24H,6-7,9-12H2,(H,21,25).
What are the key properties of N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide?
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47016815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).