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

C25H26ClN5O4 — CID 46213358

IUPACN-(5-chloro-2-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
SMILESCOc1ncc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C25H26ClN5O4/c1-34-24-21(12-16(26)13-27-24)29-22(32)15-30-7-6-20-18(14-30)23(17-4-2-3-5-19(17)28-20)25(33)31-8-10-35-11-9-31/h2-5,12-13H,6-11,14-15H2,1H3,(H,29,32)
InChIKeySONBNXMKVAWBDK-UHFFFAOYSA-N
MW495.97 g/mol
LogP2.76
Rot. Bonds5

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

N-(5-chloro-2-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (PubChem CID 46213358) has the molecular formula C25H26ClN5O4 and a molecular weight of 495.97 g/mol. Its IUPAC name is N-(5-chloro-2-methoxy-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-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
PubChem CID46213358
Molecular FormulaC25H26ClN5O4
Molecular Weight495.97 g/mol
Exact Mass495.17
IUPAC NameN-(5-chloro-2-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide
SMILESCOc1ncc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1
InChIInChI=1S/C25H26ClN5O4/c1-34-24-21(12-16(26)13-27-24)29-22(32)15-30-7-6-20-18(14-30)23(17-4-2-3-5-19(17)28-20)25(33)31-8-10-35-11-9-31/h2-5,12-13H,6-11,14-15H2,1H3,(H,29,32)
InChIKeySONBNXMKVAWBDK-UHFFFAOYSA-N
XLogP2.76
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.97
LogP ≤ 52.76
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-methoxy-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-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide (CID 46213358) is N-(5-chloro-2-methoxy-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-methoxy-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-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is COc1ncc(Cl)cc1NC(=O)CN1CCc2nc3ccccc3c(C(=O)N3CCOCC3)c2C1.
What is the InChIKey of N-(5-chloro-2-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
The InChIKey is SONBNXMKVAWBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN5O4/c1-34-24-21(12-16(26)13-27-24)29-22(32)15-30-7-6-20-18(14-30)23(17-4-2-3-5-19(17)28-20)25(33)31-8-10-35-11-9-31/h2-5,12-13H,6-11,14-15H2,1H3,(H,29,32).
What are the key properties of N-(5-chloro-2-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide?
N-(5-chloro-2-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide has a molecular weight of 495.97 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxy-3-pyridinyl)-2-[10-(morpholine-4-carbonyl)-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-2-yl]acetamide is sourced from PubChem (CID 46213358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).