2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide

C18H28N4O2 — CID 109084325

IUPAC2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H28N4O2/c1-4-8-21(9-5-2)17(23)15-6-7-19-16(14-15)18(24)22-12-10-20(3)11-13-22/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyGYDVWTNXEWLPGR-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.73
Rot. Bonds6

About 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide

2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide (PubChem CID 109084325) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide
PubChem CID109084325
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C18H28N4O2/c1-4-8-21(9-5-2)17(23)15-6-7-19-16(14-15)18(24)22-12-10-20(3)11-13-22/h6-7,14H,4-5,8-13H2,1-3H3
InChIKeyGYDVWTNXEWLPGR-UHFFFAOYSA-N
XLogP1.73
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084314
4-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide
CID 109084882
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607
2-N,2-N,4-N,4-N-tetrapropylpyridine-2,4-dicarboxamide
CID 109090449
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
N-methyl-2-(4-methylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084332
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
2-(4-ethylpiperazine-1-carbonyl)-N-propylpyridine-4-carboxamide
CID 109077634
2-(aminomethyl)-N,N-dipropylpyridine-4-carboxamide
CID 113277709
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide?
The IUPAC name of 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide (CID 109084325) is 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide.
What is the SMILES notation for 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide?
The canonical SMILES for 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide?
The InChIKey is GYDVWTNXEWLPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-8-21(9-5-2)17(23)15-6-7-19-16(14-15)18(24)22-12-10-20(3)11-13-22/h6-7,14H,4-5,8-13H2,1-3H3.
What are the key properties of 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide?
2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 1.73, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide is sourced from PubChem (CID 109084325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).