4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide

C24H34N6O — CID 163935247

IUPAC4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide
SMILESCC(C)N(C(=O)C(c1cccnc1)C(CC1N(C)N=NN1C)c1ccccc1)C(C)C
InChIInChI=1S/C24H34N6O/c1-17(2)30(18(3)4)24(31)23(20-13-10-14-25-16-20)21(19-11-8-7-9-12-19)15-22-28(5)26-27-29(22)6/h7-14,16-18,21-23H,15H2,1-6H3
InChIKeyRMEUNZPYFFCGCF-UHFFFAOYSA-N
MW422.58 g/mol
LogP4.47
Rot. Bonds8

About 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide

4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide (PubChem CID 163935247) has the molecular formula C24H34N6O and a molecular weight of 422.58 g/mol. Its IUPAC name is 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide
PubChem CID163935247
Molecular FormulaC24H34N6O
Molecular Weight422.58 g/mol
Exact Mass422.28
IUPAC Name4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide
SMILESCC(C)N(C(=O)C(c1cccnc1)C(CC1N(C)N=NN1C)c1ccccc1)C(C)C
InChIInChI=1S/C24H34N6O/c1-17(2)30(18(3)4)24(31)23(20-13-10-14-25-16-20)21(19-11-8-7-9-12-19)15-22-28(5)26-27-29(22)6/h7-14,16-18,21-23H,15H2,1-6H3
InChIKeyRMEUNZPYFFCGCF-UHFFFAOYSA-N
XLogP4.47
TPSA64.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.58
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide with MolForge

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Related Compounds

methyl 5-[1-hydroxyethyl(propan-2-yl)amino]-5-oxo-3-phenyl-4-pyridin-3-ylpentanoate
CID 143402411
CID 88971303
CID 88971303
methyl 5-[di(propan-2-yl)amino]-5-oxo-3,4-diphenylpentanoate
CID 12653729
2-[acetyl(propan-2-yl)amino]-2-pyridin-3-ylacetic acid
CID 55233795
(3S)-4-methyl-3-pyridin-3-ylpentanoic acid
CID 95426489
(2S,3S)-4-methyl-3-phenyl-2-pyridin-3-ylpentanoic acid
CID 125491492
3-methyl-2-pyridin-3-ylpentanoic acid
CID 80522853
1-O-tert-butyl 5-O-methyl 3-phenyl-2-pyridin-3-ylpentanedioate;methylphosphane
CID 143402441
2-bromo-2-phenyl-N,N-di(propan-2-yl)acetamide
CID 22398871
4-[propan-2-yl(1-pyridin-3-ylethyl)amino]butanoic acid
CID 65058589
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
(2R)-2-phenyl-N,N-di(propan-2-yl)propanamide
CID 15064517

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide?
The IUPAC name of 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide (CID 163935247) is 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide.
What is the SMILES notation for 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide?
The canonical SMILES for 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide is CC(C)N(C(=O)C(c1cccnc1)C(CC1N(C)N=NN1C)c1ccccc1)C(C)C.
What is the InChIKey of 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide?
The InChIKey is RMEUNZPYFFCGCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O/c1-17(2)30(18(3)4)24(31)23(20-13-10-14-25-16-20)21(19-11-8-7-9-12-19)15-22-28(5)26-27-29(22)6/h7-14,16-18,21-23H,15H2,1-6H3.
What are the key properties of 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide?
4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide has a molecular weight of 422.58 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dimethyl-5H-tetrazol-5-yl)-3-phenyl-N,N-di(propan-2-yl)-2-pyridin-3-ylbutanamide is sourced from PubChem (CID 163935247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).