6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide

C15H24N4O — CID 106620470

IUPAC6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
SMILESCCCCN(CC1CCCN1)c1cccc(C(N)=O)n1
InChIInChI=1S/C15H24N4O/c1-2-3-10-19(11-12-6-5-9-17-12)14-8-4-7-13(18-14)15(16)20/h4,7-8,12,17H,2-3,5-6,9-11H2,1H3,(H2,16,20)
InChIKeyMXLFGFBFZVIVEV-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.54
Rot. Bonds7

About 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide

6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide (PubChem CID 106620470) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
PubChem CID106620470
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide
SMILESCCCCN(CC1CCCN1)c1cccc(C(N)=O)n1
InChIInChI=1S/C15H24N4O/c1-2-3-10-19(11-12-6-5-9-17-12)14-8-4-7-13(18-14)15(16)20/h4,7-8,12,17H,2-3,5-6,9-11H2,1H3,(H2,16,20)
InChIKeyMXLFGFBFZVIVEV-UHFFFAOYSA-N
XLogP1.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106620429
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carboxamide
CID 106620244
N-butyl-6-ethoxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620441
6-[butyl(pyrrolidin-2-ylmethyl)amino]-N-methylpyridazine-3-carboxamide
CID 106620446
6-[piperidin-2-ylmethyl(propan-2-yl)amino]pyridine-2-carboxamide
CID 106641492
6-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]pyridazine-3-carboxamide
CID 106621384
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
N-ethyl-6-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106619421
N-propyl-N-(pyrrolidin-2-ylmethyl)pyridazin-3-amine
CID 106619840
2-bromo-6-[propyl(pyrrolidin-2-ylmethyl)amino]benzamide
CID 106619692
N-butyl-N-(pyrrolidin-2-ylmethyl)-2,1-benzothiazol-3-amine
CID 106620444
N-butyl-N-[[(2S)-piperidin-2-yl]methyl]aniline
CID 112736831

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide?
The IUPAC name of 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide (CID 106620470) is 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide?
The canonical SMILES for 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide is CCCCN(CC1CCCN1)c1cccc(C(N)=O)n1.
What is the InChIKey of 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide?
The InChIKey is MXLFGFBFZVIVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-3-10-19(11-12-6-5-9-17-12)14-8-4-7-13(18-14)15(16)20/h4,7-8,12,17H,2-3,5-6,9-11H2,1H3,(H2,16,20).
What are the key properties of 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide?
6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(pyrrolidin-2-ylmethyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 106620470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).