N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide

C15H17N3O2S — CID 51274545

IUPACN-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)CCCNC(=O)c2cccs2)c1
InChIInChI=1S/C15H17N3O2S/c1-11-6-8-16-13(10-11)18-14(19)5-2-7-17-15(20)12-4-3-9-21-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyJOHIEQGTUDILAN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.60
Rot. Bonds6

About N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 51274545) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID51274545
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC NameN-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCc1ccnc(NC(=O)CCCNC(=O)c2cccs2)c1
InChIInChI=1S/C15H17N3O2S/c1-11-6-8-16-13(10-11)18-14(19)5-2-7-17-15(20)12-4-3-9-21-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyJOHIEQGTUDILAN-UHFFFAOYSA-N
XLogP2.60
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-oxo-3-(pyridin-2-ylamino)propyl]thiophene-2-carboxamide
CID 51266033
6-acetamido-N-(4-methyl-2-pyridinyl)hexanamide
CID 47110680
N-[4-oxo-4-[(2-pyrazol-1-yl-3-pyridinyl)amino]butyl]thiophene-2-carboxamide
CID 30885035
N-[4-[[6-(dimethylamino)-3-pyridinyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 30294941
N-[4-[(2-methyl-1,3-benzoxazol-5-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 35626706
N-[3-[(4-methyl-2-pyridinyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18106915
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
N-(4-methyl-2-pyridinyl)-3-(4-thiophen-2-ylbutanoylamino)benzamide
CID 52723788
N-(4-methyl-2-pyridinyl)undecanamide
CID 3659858
methyl 2-[4-(thiophene-2-carbonylamino)butanoylamino]benzoate
CID 39753213

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide (CID 51274545) is N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide is Cc1ccnc(NC(=O)CCCNC(=O)c2cccs2)c1.
What is the InChIKey of N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is JOHIEQGTUDILAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-11-6-8-16-13(10-11)18-14(19)5-2-7-17-15(20)12-4-3-9-21-12/h3-4,6,8-10H,2,5,7H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 303.39 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 51274545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).