N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide

C12H18N4O — CID 115177973

IUPACN,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
SMILESCN1CCNC(C(=O)N(C)c2cccnc2)C1
InChIInChI=1S/C12H18N4O/c1-15-7-6-14-11(9-15)12(17)16(2)10-4-3-5-13-8-10/h3-5,8,11,14H,6-7,9H2,1-2H3
InChIKeyCNWOTLWBNLDUCH-UHFFFAOYSA-N
MW234.30 g/mol
LogP-0.05
Rot. Bonds2

About N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide

N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide (PubChem CID 115177973) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
PubChem CID115177973
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide
SMILESCN1CCNC(C(=O)N(C)c2cccnc2)C1
InChIInChI=1S/C12H18N4O/c1-15-7-6-14-11(9-15)12(17)16(2)10-4-3-5-13-8-10/h3-5,8,11,14H,6-7,9H2,1-2H3
InChIKeyCNWOTLWBNLDUCH-UHFFFAOYSA-N
XLogP-0.05
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-methyl-N-pyridin-3-ylazetidine-2-carboxamide;dihydrochloride
CID 130774871
N-methyl-N-[2-(4-methylpiperazin-2-yl)ethyl]pyridin-3-amine
CID 115239388
2-(4-methylpiperazin-2-yl)-1-pyridin-3-ylethanone
CID 116920038
N,4-dimethyl-N-(2-phenylethyl)piperazine-2-carboxamide
CID 115178084
N,4-dimethyl-N-[(2-methylphenyl)methyl]piperazine-2-carboxamide
CID 115178034
N-methyl-N-pyridin-3-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471611
4-(hydroxymethyl)-N-methyl-N-pyridin-3-ylcyclohexane-1-carboxamide
CID 115151182
N,4-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]piperazine-2-carboxamide
CID 115178047
N-methyl-2-(4-methylpiperazin-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 115239455
N,2-dimethyl-2-piperazin-1-yl-N-pyridin-3-ylpropanamide
CID 80550063
N-[(3-bromophenyl)methyl]-N,4-dimethylpiperazine-2-carboxamide
CID 115178038
N-methyl-4-piperazin-1-yl-N-pyridin-3-ylbutanamide
CID 115178480

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide?
The IUPAC name of N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide (CID 115177973) is N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide.
What is the SMILES notation for N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide?
The canonical SMILES for N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide is CN1CCNC(C(=O)N(C)c2cccnc2)C1.
What is the InChIKey of N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide?
The InChIKey is CNWOTLWBNLDUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-15-7-6-14-11(9-15)12(17)16(2)10-4-3-5-13-8-10/h3-5,8,11,14H,6-7,9H2,1-2H3.
What are the key properties of N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide?
N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of -0.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-pyridin-3-ylpiperazine-2-carboxamide is sourced from PubChem (CID 115177973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).