N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide

C14H23N3O — CID 62997361

IUPACN-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCc1ccc(CNC(=O)CCCNC(C)C)cn1
InChIInChI=1S/C14H23N3O/c1-11(2)15-8-4-5-14(18)17-10-13-7-6-12(3)16-9-13/h6-7,9,11,15H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyUJQXYDQUDSIIFC-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.78
Rot. Bonds7

About N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide

N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide (PubChem CID 62997361) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
PubChem CID62997361
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
SMILESCc1ccc(CNC(=O)CCCNC(C)C)cn1
InChIInChI=1S/C14H23N3O/c1-11(2)15-8-4-5-14(18)17-10-13-7-6-12(3)16-9-13/h6-7,9,11,15H,4-5,8,10H2,1-3H3,(H,17,18)
InChIKeyUJQXYDQUDSIIFC-UHFFFAOYSA-N
XLogP1.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methylphenyl)methyl]-4-(propan-2-ylamino)butanamide
CID 60850941
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
N-[(4-methylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60853234
N-[(1-methylpyrrol-3-yl)methyl]-4-(propan-2-ylamino)butanamide
CID 114182663
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
N-(naphthalen-1-ylmethyl)-4-(propan-2-ylamino)butanamide
CID 62369293
N-[(4-ethylphenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 103795066
2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
CID 62073740
N-[(4-fluorophenyl)methyl]-3-(propan-2-ylamino)propanamide
CID 60852513
N-ethyl-2-[(6-methyl-3-pyridinyl)methylamino]propanamide
CID 62997286
6-[(6-methyl-3-pyridinyl)methylcarbamoylamino]hexanoic acid
CID 62995104

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide (CID 62997361) is N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide is Cc1ccc(CNC(=O)CCCNC(C)C)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide?
The InChIKey is UJQXYDQUDSIIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)15-8-4-5-14(18)17-10-13-7-6-12(3)16-9-13/h6-7,9,11,15H,4-5,8,10H2,1-3H3,(H,17,18).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide?
N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide has a molecular weight of 249.36 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide is sourced from PubChem (CID 62997361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).