N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide

C19H16ClN3O3 — CID 46869949

IUPACN-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide
SMILESCC1(C)[C@@H]2C(=O)N(c3ccc(NC(=O)c4ccccn4)cc3Cl)C(=O)[C@@H]21
InChIInChI=1S/C19H16ClN3O3/c1-19(2)14-15(19)18(26)23(17(14)25)13-7-6-10(9-11(13)20)22-16(24)12-5-3-4-8-21-12/h3-9,14-15H,1-2H3,(H,22,24)/t14-,15+
InChIKeyCEQFGBDWPIJQAJ-GASCZTMLSA-N
MW369.81 g/mol
LogP3.13
Rot. Bonds3

About N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide

N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 46869949) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID46869949
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC NameN-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide
SMILESCC1(C)[C@@H]2C(=O)N(c3ccc(NC(=O)c4ccccn4)cc3Cl)C(=O)[C@@H]21
InChIInChI=1S/C19H16ClN3O3/c1-19(2)14-15(19)18(26)23(17(14)25)13-7-6-10(9-11(13)20)22-16(24)12-5-3-4-8-21-12/h3-9,14-15H,1-2H3,(H,22,24)/t14-,15+
InChIKeyCEQFGBDWPIJQAJ-GASCZTMLSA-N
XLogP3.13
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide with MolForge

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Related Compounds

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CID 46869947
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CID 45110133
N-[3-chloro-4-(4-methyl-1,3-dioxoisoindol-2-yl)phenyl]pyridine-2-carboxamide
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CID 45110765
CID 45110765
N-[3-chloro-4-(1,3-dioxo-2-azaspiro[4.5]decan-2-yl)phenyl]-2-pyridinecarboxamide
CID 46869951
N-[3-chloro-4-(3-methyl-2,5-dioxo-3-phenyl-1-pyrrolidinyl)phenyl]-2-pyridinecarboxamide
CID 46869952
N-[4-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-3-chlorophenyl]pyridine-2-carboxamide
CID 56649125
N-[3-chloro-4-[(1R,2R,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.2.02,6]undec-8-en-4-yl]phenyl]pyridine-2-carboxamide
CID 56649127
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-chloropyridine-2-carboxamide
CID 118521862
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CID 118521885
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CID 45271544

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide (CID 46869949) is N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide is CC1(C)[C@@H]2C(=O)N(c3ccc(NC(=O)c4ccccn4)cc3Cl)C(=O)[C@@H]21.
What is the InChIKey of N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is CEQFGBDWPIJQAJ-GASCZTMLSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-19(2)14-15(19)18(26)23(17(14)25)13-7-6-10(9-11(13)20)22-16(24)12-5-3-4-8-21-12/h3-9,14-15H,1-2H3,(H,22,24)/t14-,15+.
What are the key properties of N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide?
N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 369.81 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[(1S,5R)-6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 46869949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).