N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid

C18H25N3O3 — CID 154909396

IUPACN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid
SMILESCCCC(C(=O)NCc1cnc(C)cc1C)n1cccc1.O=CO
InChIInChI=1S/C17H23N3O.CH2O2/c1-4-7-16(20-8-5-6-9-20)17(21)19-12-15-11-18-14(3)10-13(15)2;2-1-3/h5-6,8-11,16H,4,7,12H2,1-3H3,(H,19,21);1H,(H,2,3)
InChIKeyJPJMYIDLAXUNDM-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.86
Rot. Bonds6

About N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid

N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid (PubChem CID 154909396) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid.

Molecular Properties

Compound NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid
PubChem CID154909396
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid
SMILESCCCC(C(=O)NCc1cnc(C)cc1C)n1cccc1.O=CO
InChIInChI=1S/C17H23N3O.CH2O2/c1-4-7-16(20-8-5-6-9-20)17(21)19-12-15-11-18-14(3)10-13(15)2;2-1-3/h5-6,8-11,16H,4,7,12H2,1-3H3,(H,19,21);1H,(H,2,3)
InChIKeyJPJMYIDLAXUNDM-UHFFFAOYSA-N
XLogP2.86
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(dimethylamino)-N-[(4,6-dimethyl-3-pyridinyl)methyl]propanamide
CID 119059769
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-pyrrol-1-ylpentanamide
CID 118776566
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-propan-2-ylsulfanylacetamide
CID 91842420
3-bromo-N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-ynamide
CID 130944215
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-phenylmethanamine
CID 130854459
N-[(4,6-dimethyl-3-pyridinyl)methyl]prop-2-yn-1-amine
CID 130870041
N-[(4,6-dimethyl-3-pyridinyl)methyl]-1-methyl-3-(2-methylpropyl)pyrazole-5-carboxamide
CID 70781233
N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-(2-oxopiperidin-1-yl)butanamide
CID 91760078
2,4-dimethyl-5-[(2-pyridin-4-ylimidazol-1-yl)methyl]pyridine;formic acid
CID 163338008
(2R)-N-propyl-2,6-di(pyrrol-1-yl)hexanamide
CID 71260975
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-2-pyrrol-1-ylbutanamide
CID 131910883
2-(2-aminoethoxy)-N-[(4,6-dimethyl-3-pyridinyl)methyl]-4-methoxybenzamide
CID 119062916

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid?
The IUPAC name of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid (CID 154909396) is N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid.
What is the SMILES notation for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid?
The canonical SMILES for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid is CCCC(C(=O)NCc1cnc(C)cc1C)n1cccc1.O=CO.
What is the InChIKey of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid?
The InChIKey is JPJMYIDLAXUNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.CH2O2/c1-4-7-16(20-8-5-6-9-20)17(21)19-12-15-11-18-14(3)10-13(15)2;2-1-3/h5-6,8-11,16H,4,7,12H2,1-3H3,(H,19,21);1H,(H,2,3).
What are the key properties of N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid?
N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid has a molecular weight of 331.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-3-pyridinyl)methyl]-2-pyrrol-1-ylpentanamide;formic acid is sourced from PubChem (CID 154909396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).