6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide

C19H27N5O — CID 133315488

IUPAC6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N2CCN(C3CCCN(C)C3)CC2)nc1
InChIInChI=1S/C19H27N5O/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/h1,6-7,14,17H,4-5,8-13,15H2,2H3,(H,20,25)
InChIKeyHUHCPFCQKYDXFD-UHFFFAOYSA-N
MW341.46 g/mol
LogP0.66
Rot. Bonds4

About 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide

6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide (PubChem CID 133315488) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
PubChem CID133315488
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
SMILESC#CCNC(=O)c1ccc(N2CCN(C3CCCN(C)C3)CC2)nc1
InChIInChI=1S/C19H27N5O/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/h1,6-7,14,17H,4-5,8-13,15H2,2H3,(H,20,25)
InChIKeyHUHCPFCQKYDXFD-UHFFFAOYSA-N
XLogP0.66
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-propylpyridine-3-carboxamide
CID 133315644
6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133499229
N-(cyclohexylmethyl)-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 25182094
6-[4-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133448609
(3aS,6aR)-2-[5-(prop-2-ynylcarbamoyl)-2-pyridinyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122063342
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
6-[4-(6-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide
CID 133487281
6-(2,2-diethyl-1-oxo-1,4-thiazinan-4-yl)-N-prop-2-ynylpyridine-3-carboxamide
CID 133479468
N-prop-2-ynyl-6-[(1-pyrimidin-2-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 71931528
6-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133383387
N-(2-aminophenyl)-6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxamide
CID 16662758
N-(3-hydroxybutyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 111433799

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide (CID 133315488) is 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide is C#CCNC(=O)c1ccc(N2CCN(C3CCCN(C)C3)CC2)nc1.
What is the InChIKey of 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide?
The InChIKey is HUHCPFCQKYDXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/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/h1,6-7,14,17H,4-5,8-13,15H2,2H3,(H,20,25).
What are the key properties of 6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide?
6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]-N-prop-2-ynylpyridine-3-carboxamide has a molecular weight of 341.46 g/mol, XLogP of 0.66, 4 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-prop-2-ynylpyridine-3-carboxamide is sourced from PubChem (CID 133315488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).