N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide

C26H28ClN5O4 — CID 46213359

IUPACN-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
SMILESCCOc1ncc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C26H28ClN5O4/c1-2-36-25-22(13-17(27)14-28-25)30-23(33)16-31-8-7-21-19(15-31)24(18-5-3-4-6-20(18)29-21)26(34)32-9-11-35-12-10-32/h3-6,13-14H,2,7-12,15-16H2,1H3,(H,30,33)
InChIKeySNNUORVXOQCPKB-UHFFFAOYSA-N
MW509.99 g/mol
LogP3.15
Rot. Bonds6

About N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide

N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (PubChem CID 46213359) has the molecular formula C26H28ClN5O4 and a molecular weight of 509.99 g/mol. Its IUPAC name is N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
PubChem CID46213359
Molecular FormulaC26H28ClN5O4
Molecular Weight509.99 g/mol
Exact Mass509.18
IUPAC NameN-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
SMILESCCOc1ncc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C26H28ClN5O4/c1-2-36-25-22(13-17(27)14-28-25)30-23(33)16-31-8-7-21-19(15-31)24(18-5-3-4-6-20(18)29-21)26(34)32-9-11-35-12-10-32/h3-6,13-14H,2,7-12,15-16H2,1H3,(H,30,33)
InChIKeySNNUORVXOQCPKB-UHFFFAOYSA-N
XLogP3.15
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.99
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
The IUPAC name of N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (CID 46213359) is N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide.
What is the SMILES notation for N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
The canonical SMILES for N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is CCOc1ncc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
The InChIKey is SNNUORVXOQCPKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClN5O4/c1-2-36-25-22(13-17(27)14-28-25)30-23(33)16-31-8-7-21-19(15-31)24(18-5-3-4-6-20(18)29-21)26(34)32-9-11-35-12-10-32/h3-6,13-14H,2,7-12,15-16H2,1H3,(H,30,33).
What are the key properties of N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide has a molecular weight of 509.99 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-ethoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is sourced from PubChem (CID 46213359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).