N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide

C16H24N4O2 — CID 109084314

IUPACN,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H24N4O2/c1-4-19(5-2)15(21)13-6-7-17-14(12-13)16(22)20-10-8-18(3)9-11-20/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyULZCFJLKVYNMLJ-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.95
Rot. Bonds4

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

N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (PubChem CID 109084314) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
PubChem CID109084314
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC NameN,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H24N4O2/c1-4-19(5-2)15(21)13-6-7-17-14(12-13)16(22)20-10-8-18(3)9-11-20/h6-7,12H,4-5,8-11H2,1-3H3
InChIKeyULZCFJLKVYNMLJ-UHFFFAOYSA-N
XLogP0.95
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylpiperazine-1-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109084325
[2-(4-ethylpiperazine-1-carbonyl)-4-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109084137
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N,N-diethylpyridine-4-carboxamide
CID 109087887
N-methyl-2-(4-methylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084332
2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-N,N-dipropylpyridine-4-carboxamide
CID 109088607
4-(4-acetylpiperazine-1-carbonyl)-N,N-dipropylpyridine-2-carboxamide
CID 109084882
[4-(N-ethylanilino)-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208139
N-[4-(dimethylamino)phenyl]-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084386
N-ethyl-2-(4-formylpiperazine-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109084799
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
N-(4-chlorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084356
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide (CID 109084314) is N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is CCN(CC)C(=O)c1ccnc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
The InChIKey is ULZCFJLKVYNMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-4-19(5-2)15(21)13-6-7-17-14(12-13)16(22)20-10-8-18(3)9-11-20/h6-7,12H,4-5,8-11H2,1-3H3.
What are the key properties of N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide?
N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 0.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).