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

C22H28N4O — CID 59401889

IUPACN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H28N4O/c1-16-13-19(25-12-9-20(15-25)26-11-4-5-17(26)2)7-8-21(16)24-22(27)18-6-3-10-23-14-18/h3,6-8,10,13-14,17,20H,4-5,9,11-12,15H2,1-2H3,(H,24,27)
InChIKeyYDGOIAYLQWVZCN-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.71
Rot. Bonds4

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

N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide (PubChem CID 59401889) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide
PubChem CID59401889
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide
SMILESCc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cccnc1
InChIInChI=1S/C22H28N4O/c1-16-13-19(25-12-9-20(15-25)26-11-4-5-17(26)2)7-8-21(16)24-22(27)18-6-3-10-23-14-18/h3,6-8,10,13-14,17,20H,4-5,9,11-12,15H2,1-2H3,(H,24,27)
InChIKeyYDGOIAYLQWVZCN-UHFFFAOYSA-N
XLogP3.71
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide (CID 59401889) is N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide is Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)c1cccnc1.
What is the InChIKey of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide?
The InChIKey is YDGOIAYLQWVZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-16-13-19(25-12-9-20(15-25)26-11-4-5-17(26)2)7-8-21(16)24-22(27)18-6-3-10-23-14-18/h3,6-8,10,13-14,17,20H,4-5,9,11-12,15H2,1-2H3,(H,24,27).
What are the key properties of N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide?
N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 59401889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).