N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide

C18H21N3O2 — CID 142584586

IUPACN-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide
SMILESC/C=C(\O/C(C)=C/CC)c1ccc2cnc(NC(C)=O)cc2n1
InChIInChI=1S/C18H21N3O2/c1-5-7-12(3)23-17(6-2)15-9-8-14-11-19-18(20-13(4)22)10-16(14)21-15/h6-11H,5H2,1-4H3,(H,19,20,22)/b12-7+,17-6-
InChIKeyKNTFZVHQLMICDF-YUJAFTAOSA-N
MW311.39 g/mol
LogP4.28
Rot. Bonds5

About N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide

N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide (PubChem CID 142584586) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide.

Molecular Properties

Compound NameN-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide
PubChem CID142584586
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC NameN-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide
SMILESC/C=C(\O/C(C)=C/CC)c1ccc2cnc(NC(C)=O)cc2n1
InChIInChI=1S/C18H21N3O2/c1-5-7-12(3)23-17(6-2)15-9-8-14-11-19-18(20-13(4)22)10-16(14)21-15/h6-11H,5H2,1-4H3,(H,19,20,22)/b12-7+,17-6-
InChIKeyKNTFZVHQLMICDF-YUJAFTAOSA-N
XLogP4.28
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 142584352
N-[7-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]quinazolin-2-yl]formamide;N,N,4-trimethylcyclohexan-1-amine
CID 142583531
molecular hydrogen;N-[2-[(Z)-1-prop-1-en-2-ylsulfanylprop-1-enyl]-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 142583577
N-(7-bromoisoquinolin-3-yl)acetamide
CID 143763768
7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]-N-prop-1-en-2-ylquinazolin-2-amine
CID 142584289
N-methyl-7-[(2E,5E)-5-methylocta-2,5-dien-3-yl]quinazolin-2-amine
CID 142584876
1-[7-[(2E,4Z,6Z)-4,7-dimethyl-6-propanoylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]-3-ethylurea
CID 171555065
N-(4-ethoxy-5-nitro-2-pyridinyl)acetamide
CID 23966737
(E)-3-ethyl-2-[[2-(1-hydroxy-1-piperidin-4-ylethyl)-1,6-naphthyridin-7-yl]amino]-N,2-dimethylhex-3-enamide
CID 166940299
N-[7-[(2E,4Z,6Z)-6-(1-hydroxycyclobutyl)-4,7-dimethylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]acetamide
CID 171555303
N-(5-nitroisoquinolin-3-yl)acetamide
CID 16749041
N-(4-amino-5-methyl-2-pyridinyl)acetamide
CID 66747868

Frequently Asked Questions

What is the IUPAC name of N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide?
The IUPAC name of N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide (CID 142584586) is N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide.
What is the SMILES notation for N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide?
The canonical SMILES for N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide is C/C=C(\O/C(C)=C/CC)c1ccc2cnc(NC(C)=O)cc2n1.
What is the InChIKey of N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide?
The InChIKey is KNTFZVHQLMICDF-YUJAFTAOSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-5-7-12(3)23-17(6-2)15-9-8-14-11-19-18(20-13(4)22)10-16(14)21-15/h6-11H,5H2,1-4H3,(H,19,20,22)/b12-7+,17-6-.
What are the key properties of N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide?
N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide has a molecular weight of 311.39 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide is sourced from PubChem (CID 142584586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).