6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid

C16H27N5O3 — CID 154914525

IUPAC6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid
SMILESCN1CCN(C)C(CNc2cccc(C(=O)N(C)C)n2)C1.O=CO
InChIInChI=1S/C15H25N5O.CH2O2/c1-18(2)15(21)13-6-5-7-14(17-13)16-10-12-11-19(3)8-9-20(12)4;2-1-3/h5-7,12H,8-11H2,1-4H3,(H,16,17);1H,(H,2,3)
InChIKeyFEVPSPGEFWUSFC-UHFFFAOYSA-N
MW337.42 g/mol
LogP0.14
Rot. Bonds4

About 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid

6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid (PubChem CID 154914525) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid.

Molecular Properties

Compound Name6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid
PubChem CID154914525
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid
SMILESCN1CCN(C)C(CNc2cccc(C(=O)N(C)C)n2)C1.O=CO
InChIInChI=1S/C15H25N5O.CH2O2/c1-18(2)15(21)13-6-5-7-14(17-13)16-10-12-11-19(3)8-9-20(12)4;2-1-3/h5-7,12H,8-11H2,1-4H3,(H,16,17);1H,(H,2,3)
InChIKeyFEVPSPGEFWUSFC-UHFFFAOYSA-N
XLogP0.14
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridine-2,6-diamine
CID 80647172
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinolin-2-amine
CID 63896921
N-[(1,4-dimethylpiperazin-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917543
N,N-dimethyl-6-[(1-methylpiperidin-2-yl)methylamino]pyrazine-2-carboxamide
CID 131906638
N-[(1,4-dimethylpiperazin-2-yl)methyl]quinoxalin-2-amine
CID 63898211
2-[(1,4-dimethylpiperazin-2-yl)methylamino]-1,3-thiazole-4-carboxylic acid
CID 80568507
N-[(1,4-dimethylpiperazin-2-yl)methyl]pyrido[2,3-b]pyrazin-6-amine
CID 78954799
2-[(1,4-dimethylpiperazin-2-yl)methylamino]pyridine-3-carboxamide
CID 63898975
6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carbothioamide
CID 106023912
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 82829349
6-[2-(1-methylpiperidin-4-yl)ethylamino]pyridine-2-carboxylic acid
CID 114515932
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583

Frequently Asked Questions

What is the IUPAC name of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid?
The IUPAC name of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid (CID 154914525) is 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid.
What is the SMILES notation for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid?
The canonical SMILES for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid is CN1CCN(C)C(CNc2cccc(C(=O)N(C)C)n2)C1.O=CO.
What is the InChIKey of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid?
The InChIKey is FEVPSPGEFWUSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O.CH2O2/c1-18(2)15(21)13-6-5-7-14(17-13)16-10-12-11-19(3)8-9-20(12)4;2-1-3/h5-7,12H,8-11H2,1-4H3,(H,16,17);1H,(H,2,3).
What are the key properties of 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid?
6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid has a molecular weight of 337.42 g/mol, XLogP of 0.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,4-dimethylpiperazin-2-yl)methylamino]-N,N-dimethylpyridine-2-carboxamide;formic acid is sourced from PubChem (CID 154914525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).