4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide

C28H35N3O — CID 14851656

IUPAC4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(N(CCCCCc2cccnc2)C(=O)CCCc2cccnc2)c(C)c1
InChIInChI=1S/C28H35N3O/c1-22-18-23(2)28(24(3)19-22)31(17-6-4-5-10-25-12-8-15-29-20-25)27(32)14-7-11-26-13-9-16-30-21-26/h8-9,12-13,15-16,18-21H,4-7,10-11,14,17H2,1-3H3
InChIKeyWUCNAVUUHQWKMC-UHFFFAOYSA-N
MW429.61 g/mol
LogP6.17
Rot. Bonds11

About 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide

4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 14851656) has the molecular formula C28H35N3O and a molecular weight of 429.61 g/mol. Its IUPAC name is 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID14851656
Molecular FormulaC28H35N3O
Molecular Weight429.61 g/mol
Exact Mass429.28
IUPAC Name4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(N(CCCCCc2cccnc2)C(=O)CCCc2cccnc2)c(C)c1
InChIInChI=1S/C28H35N3O/c1-22-18-23(2)28(24(3)19-22)31(17-6-4-5-10-25-12-8-15-29-20-25)27(32)14-7-11-26-13-9-16-30-21-26/h8-9,12-13,15-16,18-21H,4-7,10-11,14,17H2,1-3H3
InChIKeyWUCNAVUUHQWKMC-UHFFFAOYSA-N
XLogP6.17
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.61
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,6-dimethylphenyl)-N-(5-pyridin-3-ylpentyl)butanamide
CID 14851595
N-phenyl-4-pyridin-3-yl-N-(pyridin-3-ylmethyl)butanamide
CID 110613065
2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 70464234
(2S)-N-(2,6-dimethylphenyl)-2-(1,3-dioxoisoindol-2-yl)-N-(6-pyridin-3-ylhexyl)propanamide
CID 70466593
4-pyridin-3-yl-1-(2,4,6-trimethylphenyl)butan-2-amine
CID 105121222
4-hydroxy-N-methyl-N-(2-pyridin-3-ylethyl)butanamide
CID 115163161
1-(3,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-one
CID 105081292
4-(benzenesulfonyl)-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 41319134
(2R)-2-amino-N-(2,6-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide;(2R,3S)-2,3-dihydroxybutanedioic acid
CID 10073011
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
4-benzylsulfonyl-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 16824365
2-amino-N-(2,6-dimethylphenyl)-N-(2-pyridin-3-ylethyl)propanamide
CID 14851624

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide (CID 14851656) is 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(N(CCCCCc2cccnc2)C(=O)CCCc2cccnc2)c(C)c1.
What is the InChIKey of 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is WUCNAVUUHQWKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N3O/c1-22-18-23(2)28(24(3)19-22)31(17-6-4-5-10-25-12-8-15-29-20-25)27(32)14-7-11-26-13-9-16-30-21-26/h8-9,12-13,15-16,18-21H,4-7,10-11,14,17H2,1-3H3.
What are the key properties of 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide?
4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 429.61 g/mol, XLogP of 6.17, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-yl-N-(5-pyridin-3-ylpentyl)-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 14851656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).