N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide

C12H18N4O — CID 166021939

IUPACN-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCNC[C@H]2C)cn1
InChIInChI=1S/C12H18N4O/c1-9-7-14-5-6-16(9)10-3-4-11(15-8-10)12(17)13-2/h3-4,8-9,14H,5-7H2,1-2H3,(H,13,17)/t9-/m1/s1
InChIKeyKCKCBRCXOIEJTR-SECBINFHSA-N
MW234.30 g/mol
LogP0.24
Rot. Bonds2

About N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide

N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide (PubChem CID 166021939) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
PubChem CID166021939
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCNC[C@H]2C)cn1
InChIInChI=1S/C12H18N4O/c1-9-7-14-5-6-16(9)10-3-4-11(15-8-10)12(17)13-2/h3-4,8-9,14H,5-7H2,1-2H3,(H,13,17)/t9-/m1/s1
InChIKeyKCKCBRCXOIEJTR-SECBINFHSA-N
XLogP0.24
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide (CID 166021939) is N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCNC[C@H]2C)cn1.
What is the InChIKey of N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide?
The InChIKey is KCKCBRCXOIEJTR-SECBINFHSA-N. The full InChI is InChI=1S/C12H18N4O/c1-9-7-14-5-6-16(9)10-3-4-11(15-8-10)12(17)13-2/h3-4,8-9,14H,5-7H2,1-2H3,(H,13,17)/t9-/m1/s1.
What are the key properties of N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide?
N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(2R)-2-methylpiperazin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166021939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).