N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide

C26H31N5O — CID 56540241

IUPACN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCC1CCN(c2ccc(CNC(=O)c3cc4ccccc4nc3N3CCCC3)cn2)CC1
InChIInChI=1S/C26H31N5O/c1-19-10-14-30(15-11-19)24-9-8-20(17-27-24)18-28-26(32)22-16-21-6-2-3-7-23(21)29-25(22)31-12-4-5-13-31/h2-3,6-9,16-17,19H,4-5,10-15,18H2,1H3,(H,28,32)
InChIKeyPJFZKKDFIIXWMS-UHFFFAOYSA-N
MW429.57 g/mol
LogP4.40
Rot. Bonds5

About N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide

N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide (PubChem CID 56540241) has the molecular formula C26H31N5O and a molecular weight of 429.57 g/mol. Its IUPAC name is N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
PubChem CID56540241
Molecular FormulaC26H31N5O
Molecular Weight429.57 g/mol
Exact Mass429.25
IUPAC NameN-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
SMILESCC1CCN(c2ccc(CNC(=O)c3cc4ccccc4nc3N3CCCC3)cn2)CC1
InChIInChI=1S/C26H31N5O/c1-19-10-14-30(15-11-19)24-9-8-20(17-27-24)18-28-26(32)22-16-21-6-2-3-7-23(21)29-25(22)31-12-4-5-13-31/h2-3,6-9,16-17,19H,4-5,10-15,18H2,1H3,(H,28,32)
InChIKeyPJFZKKDFIIXWMS-UHFFFAOYSA-N
XLogP4.40
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56540018
4-(dimethylamino)-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846067
2-[(4-methoxybenzoyl)amino]-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]benzamide
CID 55846478
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99817715
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119846267
N-[(1S,2S)-2-methylcyclohexyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 52515339
2-bromo-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-5-sulfamoylbenzamide
CID 55846460
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
2,4-dimethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528042
1-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-3-(2-phenylethyl)urea
CID 55739819
1-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4-N-phenylpiperidine-1,4-dicarboxamide
CID 55794785
2-methyl-5-methylsulfanyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 30832353

Frequently Asked Questions

What is the IUPAC name of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The IUPAC name of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide (CID 56540241) is N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide.
What is the SMILES notation for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The canonical SMILES for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide is CC1CCN(c2ccc(CNC(=O)c3cc4ccccc4nc3N3CCCC3)cn2)CC1.
What is the InChIKey of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
The InChIKey is PJFZKKDFIIXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O/c1-19-10-14-30(15-11-19)24-9-8-20(17-27-24)18-28-26(32)22-16-21-6-2-3-7-23(21)29-25(22)31-12-4-5-13-31/h2-3,6-9,16-17,19H,4-5,10-15,18H2,1H3,(H,28,32).
What are the key properties of N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide?
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide has a molecular weight of 429.57 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide is sourced from PubChem (CID 56540241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).