6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide

C19H31N5O — CID 133315644

IUPAC6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(C3CCCN(C)C3)CC2)nc1
InChIInChI=1S/C19H31N5O/c1-3-8-20-19(25)16-6-7-18(21-14-16)24-12-10-23(11-13-24)17-5-4-9-22(2)15-17/h6-7,14,17H,3-5,8-13,15H2,1-2H3,(H,20,25)
InChIKeyDHBYIRDJTWABEM-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.44
Rot. Bonds5

About 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide

6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide (PubChem CID 133315644) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
PubChem CID133315644
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(N2CCN(C3CCCN(C)C3)CC2)nc1
InChIInChI=1S/C19H31N5O/c1-3-8-20-19(25)16-6-7-18(21-14-16)24-12-10-23(11-13-24)17-5-4-9-22(2)15-17/h6-7,14,17H,3-5,8-13,15H2,1-2H3,(H,20,25)
InChIKeyDHBYIRDJTWABEM-UHFFFAOYSA-N
XLogP1.44
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133315488
6-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133344391
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
N-[2-(ethylamino)ethyl]-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119505612
6-(4-ethylpiperazin-1-yl)-N-[2-[(2R)-1-methylpiperidin-2-yl]ethyl]pyridine-3-carboxamide
CID 28809620
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-N-pentan-2-ylpyridine-3-carboxamide
CID 59818775
N-(3-aminobutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119495810
methyl 6-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyridine-3-carboxylate
CID 22492996
2-[[6-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carbonyl]amino]ethyl nitrate;dihydrochloride
CID 67835919
N-(2-aminoethyl)-6-(azepan-1-yl)pyridine-3-carboxamide
CID 119382780

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide (CID 133315644) is 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(N2CCN(C3CCCN(C)C3)CC2)nc1.
What is the InChIKey of 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
The InChIKey is DHBYIRDJTWABEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-3-8-20-19(25)16-6-7-18(21-14-16)24-12-10-23(11-13-24)17-5-4-9-22(2)15-17/h6-7,14,17H,3-5,8-13,15H2,1-2H3,(H,20,25).
What are the key properties of 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide?
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide has a molecular weight of 345.49 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133315644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).