N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide

C27H31N5O2 — CID 142584352

IUPACN-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESC/C=C(\O/C(C)=C/CC)c1ccc2cnc(NC(=O)c3ccnc(N4CCCCC4)c3)cc2n1
InChIInChI=1S/C27H31N5O2/c1-4-9-19(3)34-24(5-2)22-11-10-21-18-29-25(17-23(21)30-22)31-27(33)20-12-13-28-26(16-20)32-14-7-6-8-15-32/h5,9-13,16-18H,4,6-8,14-15H2,1-3H3,(H,29,31,33)/b19-9+,24-5-
InChIKeyYVAMAEOPYQUBQW-CWQGDYTASA-N
MW457.58 g/mol
LogP5.96
Rot. Bonds7

About N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide

N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide (PubChem CID 142584352) has the molecular formula C27H31N5O2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide
PubChem CID142584352
Molecular FormulaC27H31N5O2
Molecular Weight457.58 g/mol
Exact Mass457.25
IUPAC NameN-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide
SMILESC/C=C(\O/C(C)=C/CC)c1ccc2cnc(NC(=O)c3ccnc(N4CCCCC4)c3)cc2n1
InChIInChI=1S/C27H31N5O2/c1-4-9-19(3)34-24(5-2)22-11-10-21-18-29-25(17-23(21)30-22)31-27(33)20-12-13-28-26(16-20)32-14-7-6-8-15-32/h5,9-13,16-18H,4,6-8,14-15H2,1-3H3,(H,29,31,33)/b19-9+,24-5-
InChIKeyYVAMAEOPYQUBQW-CWQGDYTASA-N
XLogP5.96
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.58
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]acetamide
CID 142584586
N-[6-(2-amino-1,3-thiazol-5-yl)isoquinolin-3-yl]-2-piperidin-1-ylpyridine-4-carboxamide
CID 158242384
N-[2-[5-(dimethylamino)-3-pyridinyl]-1,6-naphthyridin-7-yl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 138591093
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
ethyl 4-[(2-piperidin-1-ylpyridine-4-carbonyl)amino]benzoate
CID 109166245
2-(4-methylpiperazin-1-yl)-N-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 138590297
N-[2-[1-methyl-5-(morpholin-4-ylmethyl)pyrazol-4-yl]-1,6-naphthyridin-7-yl]-2-morpholin-4-ylpyridine-4-carboxamide
CID 138589121
2-piperidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109166232
N-(1H-indazol-6-yl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574865
2-[4-(deuteriomethyl)piperazin-1-yl]-N-[6-(1H-pyrazol-4-yl)isoquinolin-3-yl]pyridine-4-carboxamide
CID 175806566
2-(azepan-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109176065
molecular hydrogen;N-[2-[(Z)-1-prop-1-en-2-ylsulfanylprop-1-enyl]-1,6-naphthyridin-7-yl]pyridine-4-carboxamide
CID 142583577

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]-2-piperidin-1-ylpyridine-4-carboxamide?
The IUPAC name of 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) is N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide is C/C=C(\O/C(C)=C/CC)c1ccc2cnc(NC(=O)c3ccnc(N4CCCCC4)c3)cc2n1.
What is the InChIKey of N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
The InChIKey is YVAMAEOPYQUBQW-CWQGDYTASA-N. The full InChI is InChI=1S/C27H31N5O2/c1-4-9-19(3)34-24(5-2)22-11-10-21-18-29-25(17-23(21)30-22)31-27(33)20-12-13-28-26(16-20)32-14-7-6-8-15-32/h5,9-13,16-18H,4,6-8,14-15H2,1-3H3,(H,29,31,33)/b19-9+,24-5-.
What are the key properties of N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide?
N-[2-[(Z)-1-[(E)-pent-2-en-2-yl]oxyprop-1-enyl]-1,6-naphthyridin-7-yl]-2-piperidin-1-ylpyridine-4-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 5.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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]-2-piperidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 142584352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).