N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

C16H19N5O — CID 71829225

IUPACN-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCn1cccc1CNC(=O)CCCc1nnc2ccccn12
InChIInChI=1S/C16H19N5O/c1-20-10-5-6-13(20)12-17-16(22)9-4-8-15-19-18-14-7-2-3-11-21(14)15/h2-3,5-7,10-11H,4,8-9,12H2,1H3,(H,17,22)
InChIKeyFEQBUESTVOSNCV-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.71
Rot. Bonds6

About N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide

N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (PubChem CID 71829225) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.

Molecular Properties

Compound NameN-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
PubChem CID71829225
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide
SMILESCn1cccc1CNC(=O)CCCc1nnc2ccccn12
InChIInChI=1S/C16H19N5O/c1-20-10-5-6-13(20)12-17-16(22)9-4-8-15-19-18-14-7-2-3-11-21(14)15/h2-3,5-7,10-11H,4,8-9,12H2,1H3,(H,17,22)
InChIKeyFEQBUESTVOSNCV-UHFFFAOYSA-N
XLogP1.71
TPSA64.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The IUPAC name of N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide (CID 71829225) is N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide.
What is the SMILES notation for N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The canonical SMILES for N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is Cn1cccc1CNC(=O)CCCc1nnc2ccccn12.
What is the InChIKey of N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
The InChIKey is FEQBUESTVOSNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-20-10-5-6-13(20)12-17-16(22)9-4-8-15-19-18-14-7-2-3-11-21(14)15/h2-3,5-7,10-11H,4,8-9,12H2,1H3,(H,17,22).
What are the key properties of N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide?
N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide has a molecular weight of 297.36 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrol-2-yl)methyl]-4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)butanamide is sourced from PubChem (CID 71829225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).