N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide

C22H24N4O — CID 31007703

IUPACN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)c3ccc4ccccc4c3)cn2)CC1
InChIInChI=1S/C22H24N4O/c1-25-10-12-26(13-11-25)21-9-6-17(15-23-21)16-24-22(27)20-8-7-18-4-2-3-5-19(18)14-20/h2-9,14-15H,10-13,16H2,1H3,(H,24,27)
InChIKeyKVUKWBNIKPUFDC-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.92
Rot. Bonds4

About N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide

N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide (PubChem CID 31007703) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
PubChem CID31007703
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide
SMILESCN1CCN(c2ccc(CNC(=O)c3ccc4ccccc4c3)cn2)CC1
InChIInChI=1S/C22H24N4O/c1-25-10-12-26(13-11-25)21-9-6-17(15-23-21)16-24-22(27)20-8-7-18-4-2-3-5-19(18)14-20/h2-9,14-15H,10-13,16H2,1H3,(H,24,27)
InChIKeyKVUKWBNIKPUFDC-UHFFFAOYSA-N
XLogP2.92
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-4-phenoxybenzamide
CID 47050637
3,5-dimethoxy-4-methyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31007571
2-benzoyl-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]benzamide
CID 31008067
N-[[6-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methyl]-1-methylsulfonyl-2,3-dihydroindole-5-carboxamide
CID 47050699
2-(4-methoxyphenyl)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]quinoline-4-carboxamide
CID 30659242
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-3-methoxybenzamide
CID 11638950
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2,2-dioxo-3,4-dihydro-[1,2,4]thiadiazino[3,4-b][1,3]benzothiazole-8-carboxamide
CID 55518216
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-4-ethylbenzamide
CID 71842562
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-2-(2-phenylindol-1-yl)acetamide
CID 31007808
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-4-propan-2-ylbenzamide
CID 55744551

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The IUPAC name of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide (CID 31007703) is N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide.
What is the SMILES notation for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The canonical SMILES for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide is CN1CCN(c2ccc(CNC(=O)c3ccc4ccccc4c3)cn2)CC1.
What is the InChIKey of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
The InChIKey is KVUKWBNIKPUFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-25-10-12-26(13-11-25)21-9-6-17(15-23-21)16-24-22(27)20-8-7-18-4-2-3-5-19(18)14-20/h2-9,14-15H,10-13,16H2,1H3,(H,24,27).
What are the key properties of N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide?
N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]naphthalene-2-carboxamide is sourced from PubChem (CID 31007703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).