2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide

C18H22N4O3 — CID 126841057

IUPAC2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccc(Nc2ccncc2)cc1)N1CCOC(CO)C1
InChIInChI=1S/C18H22N4O3/c23-13-17-12-22(9-10-25-17)18(24)20-11-14-1-3-15(4-2-14)21-16-5-7-19-8-6-16/h1-8,17,23H,9-13H2,(H,19,21)(H,20,24)
InChIKeySGDMGMGNZVXKGN-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.73
Rot. Bonds5

About 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide

2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide (PubChem CID 126841057) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide
PubChem CID126841057
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ccc(Nc2ccncc2)cc1)N1CCOC(CO)C1
InChIInChI=1S/C18H22N4O3/c23-13-17-12-22(9-10-25-17)18(24)20-11-14-1-3-15(4-2-14)21-16-5-7-19-8-6-16/h1-8,17,23H,9-13H2,(H,19,21)(H,20,24)
InChIKeySGDMGMGNZVXKGN-UHFFFAOYSA-N
XLogP1.73
TPSA86.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3R)-3-hydroxypyrrolidin-1-yl]-N-[[4-(pyridin-4-ylamino)phenyl]methyl]azetidine-1-carboxamide
CID 154843691
4-[[[2-(pyrazol-1-ylmethyl)morpholine-4-carbonyl]amino]methyl]benzoic acid
CID 122021186
[2-(hydroxymethyl)morpholin-4-yl]-(3-hydroxy-4-pyridinyl)methanone
CID 81442526
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]-2-methylpropanoic acid
CID 81204422
1-[2-(hydroxymethyl)morpholin-4-yl]-2-pyridin-3-ylethanone
CID 81208117
2-(hydroxymethyl)-N-[3-(4-propan-2-ylphenyl)propyl]morpholine-4-carboxamide
CID 71924014
N-(pyridin-4-ylmethyl)azepane-1-carboxamide
CID 110706356
3-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]benzoic acid
CID 81204204
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
2-(hydroxymethyl)-N-[3-(2-oxopiperidin-1-yl)propyl]morpholine-4-carboxamide
CID 167933775
[2-(hydroxymethyl)morpholin-4-yl]-[5-(methylamino)-2-pyridinyl]methanone
CID 113436230

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide (CID 126841057) is 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide is O=C(NCc1ccc(Nc2ccncc2)cc1)N1CCOC(CO)C1.
What is the InChIKey of 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide?
The InChIKey is SGDMGMGNZVXKGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c23-13-17-12-22(9-10-25-17)18(24)20-11-14-1-3-15(4-2-14)21-16-5-7-19-8-6-16/h1-8,17,23H,9-13H2,(H,19,21)(H,20,24).
What are the key properties of 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide?
2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.73, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N-[[4-(pyridin-4-ylamino)phenyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 126841057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).