2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide

C22H28N4O2 — CID 92620823

IUPAC2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)CCCN3CCCC3)cc2)ccc1C(N)=O
InChIInChI=1S/C22H28N4O2/c1-16-19(22(23)28)10-11-20(25-16)18-8-6-17(7-9-18)15-24-21(27)5-4-14-26-12-2-3-13-26/h6-11H,2-5,12-15H2,1H3,(H2,23,28)(H,24,27)
InChIKeyNXWWTQHFXMCJPP-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.65
Rot. Bonds8

About 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide

2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide (PubChem CID 92620823) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide
PubChem CID92620823
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide
SMILESCc1nc(-c2ccc(CNC(=O)CCCN3CCCC3)cc2)ccc1C(N)=O
InChIInChI=1S/C22H28N4O2/c1-16-19(22(23)28)10-11-20(25-16)18-8-6-17(7-9-18)15-24-21(27)5-4-14-26-12-2-3-13-26/h6-11H,2-5,12-15H2,1H3,(H2,23,28)(H,24,27)
InChIKeyNXWWTQHFXMCJPP-UHFFFAOYSA-N
XLogP2.65
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide (CID 92620823) is 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide is Cc1nc(-c2ccc(CNC(=O)CCCN3CCCC3)cc2)ccc1C(N)=O.
What is the InChIKey of 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide?
The InChIKey is NXWWTQHFXMCJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-16-19(22(23)28)10-11-20(25-16)18-8-6-17(7-9-18)15-24-21(27)5-4-14-26-12-2-3-13-26/h6-11H,2-5,12-15H2,1H3,(H2,23,28)(H,24,27).
What are the key properties of 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide?
2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide has a molecular weight of 380.49 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-[(4-pyrrolidin-1-ylbutanoylamino)methyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 92620823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).