N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine

C24H29N7OS — CID 57311984

IUPACN-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine
SMILESCCCN(CCCCC1(C2=NS(=O)N=C2N(C)c2ccncc2)C=CC=N1)c1ccccn1
InChIInChI=1S/C24H29N7OS/c1-3-18-31(21-9-4-6-14-26-21)19-7-5-12-24(13-8-15-27-24)22-23(29-33(32)28-22)30(2)20-10-16-25-17-11-20/h4,6,8-11,13-17H,3,5,7,12,18-19H2,1-2H3
InChIKeyDRNQEULAKZODIU-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.81
Rot. Bonds10

About N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine

N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine (PubChem CID 57311984) has the molecular formula C24H29N7OS and a molecular weight of 463.61 g/mol. Its IUPAC name is N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound NameN-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine
PubChem CID57311984
Molecular FormulaC24H29N7OS
Molecular Weight463.61 g/mol
Exact Mass463.22
IUPAC NameN-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine
SMILESCCCN(CCCCC1(C2=NS(=O)N=C2N(C)c2ccncc2)C=CC=N1)c1ccccn1
InChIInChI=1S/C24H29N7OS/c1-3-18-31(21-9-4-6-14-26-21)19-7-5-12-24(13-8-15-27-24)22-23(29-33(32)28-22)30(2)20-10-16-25-17-11-20/h4,6,8-11,13-17H,3,5,7,12,18-19H2,1-2H3
InChIKeyDRNQEULAKZODIU-UHFFFAOYSA-N
XLogP3.81
TPSA86.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-N-propylpyridin-2-amine
CID 138339518
2-[4-(benzylamino)-1-oxo-1,2,5-thiadiazol-3-yl]-2-[3-[3-[propyl(pyridin-2-yl)amino]propyl]-1H-pyrrol-2-yl]ethanol
CID 57075335
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
N,N-dipropylpyridin-4-amine;hydrochloride
CID 141442378
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
4-[4-[2-[butyl(pyridin-2-yl)amino]ethoxy]phenyl]butanoic acid
CID 25109388
[1-[3-[butyl(pyridin-2-yl)amino]propoxy]naphthalen-2-yl]methanediol
CID 163726318
methyl 2-[[methyl(pyridin-2-yl)amino]methyl]butanoate
CID 115253091
N-methyl-N-(4-methylphenyl)pyridin-2-amine
CID 89072599
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
1-methyl-3-propyl-1-pyridin-2-ylurea
CID 116653987
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine?
The IUPAC name of N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine (CID 57311984) is N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine is CCCN(CCCCC1(C2=NS(=O)N=C2N(C)c2ccncc2)C=CC=N1)c1ccccn1.
What is the InChIKey of N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine?
The InChIKey is DRNQEULAKZODIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7OS/c1-3-18-31(21-9-4-6-14-26-21)19-7-5-12-24(13-8-15-27-24)22-23(29-33(32)28-22)30(2)20-10-16-25-17-11-20/h4,6,8-11,13-17H,3,5,7,12,18-19H2,1-2H3.
What are the key properties of N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine?
N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine has a molecular weight of 463.61 g/mol, XLogP of 3.81, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-oxo-4-[2-[4-[propyl(pyridin-2-yl)amino]butyl]pyrrol-2-yl]-N-pyridin-4-yl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 57311984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).