3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide

C16H20N4O — CID 113027627

IUPAC3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C16H20N4O/c1-12(2)9-16(21)20-15-7-6-14(11-19-15)18-10-13-5-3-4-8-17-13/h3-8,11-12,18H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyWJJLRLNOLJXNNS-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.07
Rot. Bonds6

About 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide

3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide (PubChem CID 113027627) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
PubChem CID113027627
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(NCc2ccccn2)cn1
InChIInChI=1S/C16H20N4O/c1-12(2)9-16(21)20-15-7-6-14(11-19-15)18-10-13-5-3-4-8-17-13/h3-8,11-12,18H,9-10H2,1-2H3,(H,19,20,21)
InChIKeyWJJLRLNOLJXNNS-UHFFFAOYSA-N
XLogP3.07
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]-3-methylbutanamide
CID 113027171
2-phenoxy-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027662
2-(2-methoxyphenoxy)-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]acetamide
CID 113027673
4-tert-butyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027652
N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012649
2-ethyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]butanamide
CID 113012657
3-methyl-N-[5-(1-phenylethylamino)-2-pyridinyl]butanamide
CID 113026782
3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
3-methyl-N-[5-(4-propan-2-ylanilino)-2-pyridinyl]butanamide
CID 113032755
2-methyl-N-[6-(pyridin-2-ylmethylamino)-3-pyridinyl]benzamide
CID 113012661
3,4-difluoro-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]benzamide
CID 113027675
N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]ethanesulfonamide
CID 113027696

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide (CID 113027627) is 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide is CC(C)CC(=O)Nc1ccc(NCc2ccccn2)cn1.
What is the InChIKey of 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide?
The InChIKey is WJJLRLNOLJXNNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(2)9-16(21)20-15-7-6-14(11-19-15)18-10-13-5-3-4-8-17-13/h3-8,11-12,18H,9-10H2,1-2H3,(H,19,20,21).
What are the key properties of 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide?
3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide has a molecular weight of 284.36 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-(pyridin-2-ylmethylamino)-2-pyridinyl]butanamide is sourced from PubChem (CID 113027627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).