N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide

C22H20N4O3S — CID 86852098

IUPACN-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C22H20N4O3S/c1-13-2-5-16(12-17(13)25-20(27)15-8-10-23-11-9-15)24-22(29)18-6-7-19(30-18)26-21(28)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyUEVDSSRZNDKFEP-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.30
Rot. Bonds6

About N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide

N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide (PubChem CID 86852098) has the molecular formula C22H20N4O3S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide
PubChem CID86852098
Molecular FormulaC22H20N4O3S
Molecular Weight420.49 g/mol
Exact Mass420.13
IUPAC NameN-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1NC(=O)c1ccncc1
InChIInChI=1S/C22H20N4O3S/c1-13-2-5-16(12-17(13)25-20(27)15-8-10-23-11-9-15)24-22(29)18-6-7-19(30-18)26-21(28)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,24,29)(H,25,27)(H,26,28)
InChIKeyUEVDSSRZNDKFEP-UHFFFAOYSA-N
XLogP4.30
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-acetamido-2-methoxyphenyl)-5-(cyclopropanecarbonylamino)thiophene-2-carboxamide
CID 16595029
N-[5-[(4-ethyl-5-methylthiophene-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 86852084
N-[4-methyl-3-(propanoylamino)phenyl]pyridine-4-carboxamide
CID 46761053
5-(cyclopropanecarbonylamino)-N-(3-methyl-4-thiomorpholin-4-ylphenyl)thiophene-2-carboxamide
CID 86876202
N-[4-(cyclopropanecarbonylamino)-2-(trifluoromethyl)phenyl]pyridine-4-carboxamide
CID 17462810
4-cyclohexyl-N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]benzamide
CID 46478092
5-(cyclopropanecarbonylamino)-N-(3,4-dipropoxyphenyl)thiophene-2-carboxamide
CID 24590454
5-(cyclopropanecarbonylamino)-N-(2,5-dichlorophenyl)thiophene-2-carboxamide
CID 17420515
N-[5-[(3,5-dimethylfuran-2-carbonyl)amino]-2-methylphenyl]pyridine-4-carboxamide
CID 122146668
N-[2,5-dimethyl-4-(pyridine-4-carbonylamino)phenyl]pyridine-4-carboxamide
CID 163197723
N-[4-methyl-3-(thiophene-2-carbonylamino)phenyl]thiophene-2-carboxamide
CID 838783
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 46467572

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide (CID 86852098) is N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccc(NC(=O)C3CC3)s2)cc1NC(=O)c1ccncc1.
What is the InChIKey of N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide?
The InChIKey is UEVDSSRZNDKFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3S/c1-13-2-5-16(12-17(13)25-20(27)15-8-10-23-11-9-15)24-22(29)18-6-7-19(30-18)26-21(28)14-3-4-14/h2,5-12,14H,3-4H2,1H3,(H,24,29)(H,25,27)(H,26,28).
What are the key properties of N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide?
N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide has a molecular weight of 420.49 g/mol, XLogP of 4.30, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-(cyclopropanecarbonylamino)thiophene-2-carbonyl]amino]-2-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 86852098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).