N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide

C19H22FN3O2 — CID 163670677

IUPACN-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide
SMILESCC(=O)N1CC2C(NC(=O)C3=CC=C(C4C=CC=C(F)C4)NC3)[C@H]2C1
InChIInChI=1S/C19H22FN3O2/c1-11(24)23-9-15-16(10-23)18(15)22-19(25)13-5-6-17(21-8-13)12-3-2-4-14(20)7-12/h2-6,12,15-16,18,21H,7-10H2,1H3,(H,22,25)/t12?,15-,16?,18?/m0/s1
InChIKeyJCGIKGYPLAHOHK-OTPKUTMYSA-N
MW343.40 g/mol
LogP1.42
Rot. Bonds3

About N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide

N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide (PubChem CID 163670677) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide
PubChem CID163670677
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC NameN-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide
SMILESCC(=O)N1CC2C(NC(=O)C3=CC=C(C4C=CC=C(F)C4)NC3)[C@H]2C1
InChIInChI=1S/C19H22FN3O2/c1-11(24)23-9-15-16(10-23)18(15)22-19(25)13-5-6-17(21-8-13)12-3-2-4-14(20)7-12/h2-6,12,15-16,18,21H,7-10H2,1H3,(H,22,25)/t12?,15-,16?,18?/m0/s1
InChIKeyJCGIKGYPLAHOHK-OTPKUTMYSA-N
XLogP1.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide?
The IUPAC name of N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide (CID 163670677) is N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide.
What is the SMILES notation for N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide?
The canonical SMILES for N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide is CC(=O)N1CC2C(NC(=O)C3=CC=C(C4C=CC=C(F)C4)NC3)[C@H]2C1.
What is the InChIKey of N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide?
The InChIKey is JCGIKGYPLAHOHK-OTPKUTMYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c1-11(24)23-9-15-16(10-23)18(15)22-19(25)13-5-6-17(21-8-13)12-3-2-4-14(20)7-12/h2-6,12,15-16,18,21H,7-10H2,1H3,(H,22,25)/t12?,15-,16?,18?/m0/s1.
What are the key properties of N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide?
N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-3-acetyl-3-azabicyclo[3.1.0]hexan-6-yl]-6-(5-fluorocyclohexa-2,4-dien-1-yl)-1,2-dihydropyridine-3-carboxamide is sourced from PubChem (CID 163670677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).