CID 134809937

C19H24N4O3S — CID 134809937

IUPAC—
SMILESCC(C)CCNC(=O)c1cnc2c(c1)N([S+](=O)([O-])c1cccnc1)CCC2
InChIInChI=1S/C19H24N4O3S/c1-14(2)7-9-21-19(24)15-11-18-17(22-12-15)6-4-10-23(18)27(25,26)16-5-3-8-20-13-16/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3,(H-,21,24,25,26)
InChIKeyLZQFAVINYGPXAQ-UHFFFAOYSA-N
MW388.49 g/mol
LogP2.61
Rot. Bonds6

About CID 134809937

CID 134809937 (PubChem CID 134809937) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol.

Molecular Properties

Compound NameCID 134809937
PubChem CID134809937
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC Name—
SMILESCC(C)CCNC(=O)c1cnc2c(c1)N([S+](=O)([O-])c1cccnc1)CCC2
InChIInChI=1S/C19H24N4O3S/c1-14(2)7-9-21-19(24)15-11-18-17(22-12-15)6-4-10-23(18)27(25,26)16-5-3-8-20-13-16/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3,(H-,21,24,25,26)
InChIKeyLZQFAVINYGPXAQ-UHFFFAOYSA-N
XLogP2.61
TPSA98.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 134810005
CID 134810005
3-N-(3-methylbutyl)-5-N-(pyridin-3-ylmethyl)pyridine-3,5-dicarboxamide
CID 109106009
N-(3-methylbutyl)-5-(piperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102896
N-(3-methylbutyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109253878
5-[2-(4-propan-2-ylphenyl)acetyl]-N-(2-pyrrolidin-1-ylethyl)-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134806783
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(3-methylbutyl)-5-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106716
5-N-cycloheptyl-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109107017
N-(3-methylbutyl)-5-(4-pyridin-2-ylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106706
3-N-(3-methylbutyl)-5-N-(pyridin-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109105910
2-(tert-butylamino)-N-(3-methylbutyl)pyrimidine-5-carboxamide
CID 109262959
5-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109238474

Frequently Asked Questions

What is the IUPAC name of CID 134809937?
The IUPAC name of CID 134809937 (CID 134809937) is not available.
What is the SMILES notation for CID 134809937?
The canonical SMILES for CID 134809937 is CC(C)CCNC(=O)c1cnc2c(c1)N([S+](=O)([O-])c1cccnc1)CCC2.
What is the InChIKey of CID 134809937?
The InChIKey is LZQFAVINYGPXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c1-14(2)7-9-21-19(24)15-11-18-17(22-12-15)6-4-10-23(18)27(25,26)16-5-3-8-20-13-16/h3,5,8,11-14H,4,6-7,9-10H2,1-2H3,(H-,21,24,25,26).
What are the key properties of CID 134809937?
CID 134809937 has a molecular weight of 388.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134809937 is sourced from PubChem (CID 134809937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).