N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide

C19H32N4O2 — CID 47068402

IUPACN-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCC(C)COc1ccc(C(=O)NCC(C)(C)N2CCN(C)CC2)cn1
InChIInChI=1S/C19H32N4O2/c1-15(2)13-25-17-7-6-16(12-20-17)18(24)21-14-19(3,4)23-10-8-22(5)9-11-23/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,21,24)
InChIKeyMLHZJXXJQQDDLW-UHFFFAOYSA-N
MW348.49 g/mol
LogP1.87
Rot. Bonds7

About N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide

N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide (PubChem CID 47068402) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide
PubChem CID47068402
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC NameN-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCC(C)COc1ccc(C(=O)NCC(C)(C)N2CCN(C)CC2)cn1
InChIInChI=1S/C19H32N4O2/c1-15(2)13-25-17-7-6-16(12-20-17)18(24)21-14-19(3,4)23-10-8-22(5)9-11-23/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,21,24)
InChIKeyMLHZJXXJQQDDLW-UHFFFAOYSA-N
XLogP1.87
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-N-(2-methyl-2-piperidin-1-ylpropyl)pyridine-3-carboxamide
CID 87010730
2-fluoro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-4-carboxamide
CID 61294593
6-(2-methylpropoxy)-N-[2-(propanoylamino)ethyl]pyridine-3-carboxamide
CID 142430003
(4-cyclopropylidenepiperidin-1-yl)-[6-(2-methylpropoxy)-3-pyridinyl]methanone
CID 121187079
3-bromo-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-2-carboxamide
CID 107518771
4-chloro-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pyridine-3-carboxamide
CID 81228576
6-[(2R)-2-hydroxypropoxy]pyridine-3-carboxylic acid
CID 97034220
N-[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 47019999
N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpropyl]-6-methylpyridine-3-carboxamide
CID 29303331
2-[[6-(2-methylpropoxy)pyridine-3-carbonyl]amino]-1,3-benzothiazole-6-carboxylic acid
CID 166127482
6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 121177832
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide (CID 47068402) is N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide is CC(C)COc1ccc(C(=O)NCC(C)(C)N2CCN(C)CC2)cn1.
What is the InChIKey of N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide?
The InChIKey is MLHZJXXJQQDDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15(2)13-25-17-7-6-16(12-20-17)18(24)21-14-19(3,4)23-10-8-22(5)9-11-23/h6-7,12,15H,8-11,13-14H2,1-5H3,(H,21,24).
What are the key properties of N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide?
N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide has a molecular weight of 348.49 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-6-(2-methylpropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 47068402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).