ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate

C27H33N5O3 — CID 171345850

IUPACethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3ccncc3)nc2c1NC1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C27H33N5O3/c1-2-35-27(33)22-17-29-24-8-7-23(20-9-11-28-12-10-20)31-26(24)25(22)30-21-5-3-19(4-6-21)18-32-13-15-34-16-14-32/h7-12,17,19,21H,2-6,13-16,18H2,1H3,(H,29,30)
InChIKeyQHMQLDLRYFCQRB-UHFFFAOYSA-N
MW475.59 g/mol
LogP4.17
Rot. Bonds7

About ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate

ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate (PubChem CID 171345850) has the molecular formula C27H33N5O3 and a molecular weight of 475.59 g/mol. Its IUPAC name is ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate
PubChem CID171345850
Molecular FormulaC27H33N5O3
Molecular Weight475.59 g/mol
Exact Mass475.26
IUPAC Nameethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3ccncc3)nc2c1NC1CCC(CN2CCOCC2)CC1
InChIInChI=1S/C27H33N5O3/c1-2-35-27(33)22-17-29-24-8-7-23(20-9-11-28-12-10-20)31-26(24)25(22)30-21-5-3-19(4-6-21)18-32-13-15-34-16-14-32/h7-12,17,19,21H,2-6,13-16,18H2,1H3,(H,29,30)
InChIKeyQHMQLDLRYFCQRB-UHFFFAOYSA-N
XLogP4.17
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.59
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate?
The IUPAC name of ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate (CID 171345850) is ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3ccncc3)nc2c1NC1CCC(CN2CCOCC2)CC1.
What is the InChIKey of ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate?
The InChIKey is QHMQLDLRYFCQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O3/c1-2-35-27(33)22-17-29-24-8-7-23(20-9-11-28-12-10-20)31-26(24)25(22)30-21-5-3-19(4-6-21)18-32-13-15-34-16-14-32/h7-12,17,19,21H,2-6,13-16,18H2,1H3,(H,29,30).
What are the key properties of ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate?
ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate has a molecular weight of 475.59 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[4-(morpholin-4-ylmethyl)cyclohexyl]amino]-6-pyridin-4-yl-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 171345850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).