N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

C19H22N4O3 — CID 131927818

IUPACN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H22N4O3/c1-3-23-10-14(16(24)13-9-8-11(2)21-18(13)23)19(26)22-15-7-5-4-6-12(15)17(20)25/h4-5,8-10,12,15H,3,6-7H2,1-2H3,(H2,20,25)(H,22,26)/t12-,15-/m1/s1
InChIKeyVTOJMQVEYCWKQF-IUODEOHRSA-N
MW354.41 g/mol
LogP1.27
Rot. Bonds4

About N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide

N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 131927818) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID131927818
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC NameN-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c(=O)c2ccc(C)nc21
InChIInChI=1S/C19H22N4O3/c1-3-23-10-14(16(24)13-9-8-11(2)21-18(13)23)19(26)22-15-7-5-4-6-12(15)17(20)25/h4-5,8-10,12,15H,3,6-7H2,1-2H3,(H2,20,25)(H,22,26)/t12-,15-/m1/s1
InChIKeyVTOJMQVEYCWKQF-IUODEOHRSA-N
XLogP1.27
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide (CID 131927818) is N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)N[C@@H]2CC=CC[C@H]2C(N)=O)c(=O)c2ccc(C)nc21.
What is the InChIKey of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is VTOJMQVEYCWKQF-IUODEOHRSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-3-23-10-14(16(24)13-9-8-11(2)21-18(13)23)19(26)22-15-7-5-4-6-12(15)17(20)25/h4-5,8-10,12,15H,3,6-7H2,1-2H3,(H2,20,25)(H,22,26)/t12-,15-/m1/s1.
What are the key properties of N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide?
N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,6R)-6-carbamoylcyclohex-3-en-1-yl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 131927818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).