N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide

C26H36N4O — CID 44526911

IUPACN-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(-c2cccc(CN3CCC(N4CCCC4)CC3)c2)nc1
InChIInChI=1S/C26H36N4O/c1-20(2)17-28-26(31)23-8-9-25(27-18-23)22-7-5-6-21(16-22)19-29-14-10-24(11-15-29)30-12-3-4-13-30/h5-9,16,18,20,24H,3-4,10-15,17,19H2,1-2H3,(H,28,31)
InChIKeyVZPDDFQSNCHYRI-UHFFFAOYSA-N
MW420.60 g/mol
LogP4.19
Rot. Bonds7

About N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide

N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 44526911) has the molecular formula C26H36N4O and a molecular weight of 420.60 g/mol. Its IUPAC name is N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
PubChem CID44526911
Molecular FormulaC26H36N4O
Molecular Weight420.60 g/mol
Exact Mass420.29
IUPAC NameN-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide
SMILESCC(C)CNC(=O)c1ccc(-c2cccc(CN3CCC(N4CCCC4)CC3)c2)nc1
InChIInChI=1S/C26H36N4O/c1-20(2)17-28-26(31)23-8-9-25(27-18-23)22-7-5-6-21(16-22)19-29-14-10-24(11-15-29)30-12-3-4-13-30/h5-9,16,18,20,24H,3-4,10-15,17,19H2,1-2H3,(H,28,31)
InChIKeyVZPDDFQSNCHYRI-UHFFFAOYSA-N
XLogP4.19
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.60
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide (CID 44526911) is N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide is CC(C)CNC(=O)c1ccc(-c2cccc(CN3CCC(N4CCCC4)CC3)c2)nc1.
What is the InChIKey of N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is VZPDDFQSNCHYRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O/c1-20(2)17-28-26(31)23-8-9-25(27-18-23)22-7-5-6-21(16-22)19-29-14-10-24(11-15-29)30-12-3-4-13-30/h5-9,16,18,20,24H,3-4,10-15,17,19H2,1-2H3,(H,28,31).
What are the key properties of N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide?
N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 420.60 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-6-[3-[(4-pyrrolidin-1-ylpiperidin-1-yl)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 44526911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).