2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

C25H28N4O3 — CID 55971022

IUPAC2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C25H28N4O3/c1-31-23-10-3-2-9-22(23)28-24-21(8-5-11-26-24)25(30)27-17-19-6-4-7-20(16-19)18-29-12-14-32-15-13-29/h2-11,16H,12-15,17-18H2,1H3,(H,26,28)(H,27,30)
InChIKeyHWULAWZSTMGSRN-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.60
Rot. Bonds8

About 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 55971022) has the molecular formula C25H28N4O3 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID55971022
Molecular FormulaC25H28N4O3
Molecular Weight432.52 g/mol
Exact Mass432.22
IUPAC Name2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccccc1Nc1ncccc1C(=O)NCc1cccc(CN2CCOCC2)c1
InChIInChI=1S/C25H28N4O3/c1-31-23-10-3-2-9-22(23)28-24-21(8-5-11-26-24)25(30)27-17-19-6-4-7-20(16-19)18-29-12-14-32-15-13-29/h2-11,16H,12-15,17-18H2,1H3,(H,26,28)(H,27,30)
InChIKeyHWULAWZSTMGSRN-UHFFFAOYSA-N
XLogP3.60
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,3-dimethoxy-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 55814732
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-methoxyanilino)pyridine-3-carboxamide
CID 55394070
(4-benzylpiperazin-1-yl)-[2-(2-methoxyanilino)-3-pyridinyl]methanone
CID 29264109
2-methoxy-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]benzamide
CID 17437691
2-(2-methoxyanilino)-N-[[3-(3-methylbutanoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 146096764
2-(2-methoxyanilino)-N-propylpyridine-3-carboxamide
CID 32736796
2-(3,4-dimethoxyphenyl)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]acetamide
CID 55815087
methyl 2-methoxy-5-[[[3-(morpholin-4-ylmethyl)phenyl]methylcarbamoylamino]methyl]benzoate
CID 55921387
2-(2-methoxyanilino)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 51250549
4-[[4-[2-(2-methoxyanilino)pyridine-3-carbonyl]piperazin-1-yl]methyl]benzonitrile
CID 31111720
3-methyl-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]-4-oxophthalazine-1-carboxamide
CID 55814512
2-(2-bromoanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 23632978

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide (CID 55971022) is 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is COc1ccccc1Nc1ncccc1C(=O)NCc1cccc(CN2CCOCC2)c1.
What is the InChIKey of 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is HWULAWZSTMGSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3/c1-31-23-10-3-2-9-22(23)28-24-21(8-5-11-26-24)25(30)27-17-19-6-4-7-20(16-19)18-29-12-14-32-15-13-29/h2-11,16H,12-15,17-18H2,1H3,(H,26,28)(H,27,30).
What are the key properties of 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide?
2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 3.60, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyanilino)-N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 55971022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).