N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C34H42N6O6 — CID 166625787

IUPACN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(CCc2cnc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C=O)nc43)cc2OC(C)C)cc(OC)c1
InChIInChI=1S/C34H42N6O6/c1-22(2)46-30-17-31(35-18-25(30)9-8-23-13-27(44-4)16-28(14-23)45-5)37-34(43)40-10-6-7-24-15-26(29(21-41)36-33(24)40)19-39-12-11-38(3)20-32(39)42/h13-18,21-22H,6-12,19-20H2,1-5H3,(H,35,37,43)
InChIKeyWUKMXVVRRPZLOW-UHFFFAOYSA-N
MW630.75 g/mol
LogP4.14
Rot. Bonds11

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 166625787) has the molecular formula C34H42N6O6 and a molecular weight of 630.75 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
PubChem CID166625787
Molecular FormulaC34H42N6O6
Molecular Weight630.75 g/mol
Exact Mass630.32
IUPAC NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
SMILESCOc1cc(CCc2cnc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C=O)nc43)cc2OC(C)C)cc(OC)c1
InChIInChI=1S/C34H42N6O6/c1-22(2)46-30-17-31(35-18-25(30)9-8-23-13-27(44-4)16-28(14-23)45-5)37-34(43)40-10-6-7-24-15-26(29(21-41)36-33(24)40)19-39-12-11-38(3)20-32(39)42/h13-18,21-22H,6-12,19-20H2,1-5H3,(H,35,37,43)
InChIKeyWUKMXVVRRPZLOW-UHFFFAOYSA-N
XLogP4.14
TPSA126.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 166625787) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.
What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COc1cc(CCc2cnc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C=O)nc43)cc2OC(C)C)cc(OC)c1.
What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
The InChIKey is WUKMXVVRRPZLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N6O6/c1-22(2)46-30-17-31(35-18-25(30)9-8-23-13-27(44-4)16-28(14-23)45-5)37-34(43)40-10-6-7-24-15-26(29(21-41)36-33(24)40)19-39-12-11-38(3)20-32(39)42/h13-18,21-22H,6-12,19-20H2,1-5H3,(H,35,37,43).
What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 630.75 g/mol, XLogP of 4.14, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxy-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 166625787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).