N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide

C23H32N4O3 — CID 175656550

IUPACN,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCOC(c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1
InChIInChI=1S/C23H32N4O3/c1-5-27(6-2)23(28)16-26-11-12-30-22(15-26)21-14-19(13-17(3)24-21)25-18-7-9-20(29-4)10-8-18/h7-10,13-14,22H,5-6,11-12,15-16H2,1-4H3,(H,24,25)
InChIKeyFAARTJTYVNBKRJ-UHFFFAOYSA-N
MW412.53 g/mol
LogP3.38
Rot. Bonds8

About N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide

N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide (PubChem CID 175656550) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide
PubChem CID175656550
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCOC(c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1
InChIInChI=1S/C23H32N4O3/c1-5-27(6-2)23(28)16-26-11-12-30-22(15-26)21-14-19(13-17(3)24-21)25-18-7-9-20(29-4)10-8-18/h7-10,13-14,22H,5-6,11-12,15-16H2,1-4H3,(H,24,25)
InChIKeyFAARTJTYVNBKRJ-UHFFFAOYSA-N
XLogP3.38
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide (CID 175656550) is N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide is CCN(CC)C(=O)CN1CCOC(c2cc(Nc3ccc(OC)cc3)cc(C)n2)C1.
What is the InChIKey of N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide?
The InChIKey is FAARTJTYVNBKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-5-27(6-2)23(28)16-26-11-12-30-22(15-26)21-14-19(13-17(3)24-21)25-18-7-9-20(29-4)10-8-18/h7-10,13-14,22H,5-6,11-12,15-16H2,1-4H3,(H,24,25).
What are the key properties of N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide?
N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide has a molecular weight of 412.53 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[2-[4-(4-methoxyanilino)-6-methyl-2-pyridinyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 175656550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).