N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

C23H26N4O — CID 87269434

IUPACN-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESCC(C)CCNc1nc(-c2ccccc2)ccc1N(C=O)Cc1cccnc1
InChIInChI=1S/C23H26N4O/c1-18(2)12-14-25-23-22(27(17-28)16-19-7-6-13-24-15-19)11-10-21(26-23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3,(H,25,26)
InChIKeySEUMMUZZIRFQMP-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.76
Rot. Bonds9

About N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide

N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (PubChem CID 87269434) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.

Molecular Properties

Compound NameN-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
PubChem CID87269434
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC NameN-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
SMILESCC(C)CCNc1nc(-c2ccccc2)ccc1N(C=O)Cc1cccnc1
InChIInChI=1S/C23H26N4O/c1-18(2)12-14-25-23-22(27(17-28)16-19-7-6-13-24-15-19)11-10-21(26-23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3,(H,25,26)
InChIKeySEUMMUZZIRFQMP-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[6-(4-methylphenyl)-2-(2-pyridin-2-ylethylamino)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269534
N-[2-[2-(2-oxopiperidin-1-yl)ethylamino]-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269486
N-[2-[2-(3-fluorophenyl)ethylamino]-6-(1H-pyrazol-5-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269299
N-[2-[2-(3-fluorophenyl)ethylamino]-6-(5-formylthiophen-2-yl)-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269605
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(E)-3-methoxyprop-1-enyl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87305642
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302544
N-[6-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302162
4-N-(2-methylpropyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112933732
N-[(6-phenyl-3-pyridinyl)methyl]-N-[2-(2-pyridin-3-ylethynyl)phenyl]formamide
CID 175843188
N-[2-[2-(3-fluorophenyl)ethylamino]-6-[(3S)-3-hydroxypiperidin-1-yl]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87302384
6-N-(3-methylbutyl)-5-nitro-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 23481384
N-[5-cyano-6-(2-cyanophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide
CID 87269203

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The IUPAC name of N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide (CID 87269434) is N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide.
What is the SMILES notation for N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The canonical SMILES for N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is CC(C)CCNc1nc(-c2ccccc2)ccc1N(C=O)Cc1cccnc1.
What is the InChIKey of N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
The InChIKey is SEUMMUZZIRFQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-18(2)12-14-25-23-22(27(17-28)16-19-7-6-13-24-15-19)11-10-21(26-23)20-8-4-3-5-9-20/h3-11,13,15,17-18H,12,14,16H2,1-2H3,(H,25,26).
What are the key properties of N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide?
N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide has a molecular weight of 374.49 g/mol, XLogP of 4.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylbutylamino)-6-phenyl-3-pyridinyl]-N-(pyridin-3-ylmethyl)formamide is sourced from PubChem (CID 87269434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).