N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide

C26H29N5O3 — CID 164526355

IUPACN-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2cccc(CNc3ncc(-c4ccncc4)c4c3CCO4)c2)C1
InChIInChI=1S/C26H29N5O3/c1-31-10-12-33-21(17-31)15-30-26(32)20-4-2-3-18(13-20)14-28-25-22-7-11-34-24(22)23(16-29-25)19-5-8-27-9-6-19/h2-6,8-9,13,16,21H,7,10-12,14-15,17H2,1H3,(H,28,29)(H,30,32)
InChIKeyCCEUBCGUZQCMIH-UHFFFAOYSA-N
MW459.55 g/mol
LogP2.75
Rot. Bonds7

About N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide

N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide (PubChem CID 164526355) has the molecular formula C26H29N5O3 and a molecular weight of 459.55 g/mol. Its IUPAC name is N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
PubChem CID164526355
Molecular FormulaC26H29N5O3
Molecular Weight459.55 g/mol
Exact Mass459.23
IUPAC NameN-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
SMILESCN1CCOC(CNC(=O)c2cccc(CNc3ncc(-c4ccncc4)c4c3CCO4)c2)C1
InChIInChI=1S/C26H29N5O3/c1-31-10-12-33-21(17-31)15-30-26(32)20-4-2-3-18(13-20)14-28-25-22-7-11-34-24(22)23(16-29-25)19-5-8-27-9-6-19/h2-6,8-9,13,16,21H,7,10-12,14-15,17H2,1H3,(H,28,29)(H,30,32)
InChIKeyCCEUBCGUZQCMIH-UHFFFAOYSA-N
XLogP2.75
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide?
The IUPAC name of N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide (CID 164526355) is N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide?
The canonical SMILES for N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide is CN1CCOC(CNC(=O)c2cccc(CNc3ncc(-c4ccncc4)c4c3CCO4)c2)C1.
What is the InChIKey of N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide?
The InChIKey is CCEUBCGUZQCMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O3/c1-31-10-12-33-21(17-31)15-30-26(32)20-4-2-3-18(13-20)14-28-25-22-7-11-34-24(22)23(16-29-25)19-5-8-27-9-6-19/h2-6,8-9,13,16,21H,7,10-12,14-15,17H2,1H3,(H,28,29)(H,30,32).
What are the key properties of N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide?
N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide has a molecular weight of 459.55 g/mol, XLogP of 2.75, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 164526355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).