N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide

C20H17ClN4O2S — CID 143722963

IUPACN-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide
SMILESNC=C(/C=N/c1ccc(-n2ccccc2=O)cc1)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H17ClN4O2S/c21-18-9-8-17(28-18)20(27)24-13-14(11-22)12-23-15-4-6-16(7-5-15)25-10-2-1-3-19(25)26/h1-12H,13,22H2,(H,24,27)/b14-11?,23-12+
InChIKeyOGMSXTQUBCSNFK-LHSHSSRMSA-N
MW412.90 g/mol
LogP3.53
Rot. Bonds6

About N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide

N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide (PubChem CID 143722963) has the molecular formula C20H17ClN4O2S and a molecular weight of 412.90 g/mol. Its IUPAC name is N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide
PubChem CID143722963
Molecular FormulaC20H17ClN4O2S
Molecular Weight412.90 g/mol
Exact Mass412.08
IUPAC NameN-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide
SMILESNC=C(/C=N/c1ccc(-n2ccccc2=O)cc1)CNC(=O)c1ccc(Cl)s1
InChIInChI=1S/C20H17ClN4O2S/c21-18-9-8-17(28-18)20(27)24-13-14(11-22)12-23-15-4-6-16(7-5-15)25-10-2-1-3-19(25)26/h1-12H,13,22H2,(H,24,27)/b14-11?,23-12+
InChIKeyOGMSXTQUBCSNFK-LHSHSSRMSA-N
XLogP3.53
TPSA89.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[(2R)-3-methyl-1-oxo-1-[4-(2-oxo-1-pyridinyl)anilino]butan-2-yl]thiophene-2-carboxamide
CID 10002757
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]pyrrolidin-3-yl]methyl]thiophene-2-carboxamide
CID 58748157
5-chloro-N-[[1-[4-(2-oxo-1-pyridinyl)phenyl]imidazol-4-yl]methyl]thiophene-2-carboxamide;methane
CID 159457229
3-[(5-chlorothiophene-2-carbonyl)amino]-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propanoic acid
CID 10003667
5-chloro-N-[1-(methylamino)-3-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]propan-2-yl]thiophene-2-carboxamide
CID 10433624
5-chloro-N-[(1R,2S,4S)-4-(methoxymethyl)-2-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]cyclopentyl]thiophene-2-carboxamide
CID 69441318
N-[(3R)-1-acetyl-4-[[4-(2-oxo-1-pyridinyl)benzoyl]amino]pyrrolidin-3-yl]-5-chlorothiophene-2-carboxamide
CID 58845319
5-chloro-N-[[(1S,2R,4S)-4-[[2-fluoro-4-(2-oxo-1-pyridinyl)phenyl]carbamoyl]-2-hydroxycyclopentyl]methyl]thiophene-2-carboxamide
CID 58826442
N-[[1-[2-carbamoyl-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 59849086
N-[[1-[2-(aminomethyl)-4-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 59849061
5-chloro-N-[[1-[3-(2-oxo-1-pyridinyl)phenyl]triazol-4-yl]methyl]thiophene-2-carboxamide
CID 59260077

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide?
The IUPAC name of N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide (CID 143722963) is N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide.
What is the SMILES notation for N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide?
The canonical SMILES for N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide is NC=C(/C=N/c1ccc(-n2ccccc2=O)cc1)CNC(=O)c1ccc(Cl)s1.
What is the InChIKey of N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide?
The InChIKey is OGMSXTQUBCSNFK-LHSHSSRMSA-N. The full InChI is InChI=1S/C20H17ClN4O2S/c21-18-9-8-17(28-18)20(27)24-13-14(11-22)12-23-15-4-6-16(7-5-15)25-10-2-1-3-19(25)26/h1-12H,13,22H2,(H,24,27)/b14-11?,23-12+.
What are the key properties of N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide?
N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide has a molecular weight of 412.90 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-2-[[4-(2-oxo-1-pyridinyl)phenyl]iminomethyl]prop-2-enyl]-5-chlorothiophene-2-carboxamide is sourced from PubChem (CID 143722963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).