N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide

C22H23N5O3 — CID 142804321

IUPACN-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESC=C(NCC1CN(c2ncc(C(=O)NO)cn2)CCO1)c1ccc2ccccc2c1
InChIInChI=1S/C22H23N5O3/c1-15(17-7-6-16-4-2-3-5-18(16)10-17)23-13-20-14-27(8-9-30-20)22-24-11-19(12-25-22)21(28)26-29/h2-7,10-12,20,23,29H,1,8-9,13-14H2,(H,26,28)
InChIKeyXRYORQWNJWVDTD-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.21
Rot. Bonds6

About N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide

N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 142804321) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
PubChem CID142804321
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
SMILESC=C(NCC1CN(c2ncc(C(=O)NO)cn2)CCO1)c1ccc2ccccc2c1
InChIInChI=1S/C22H23N5O3/c1-15(17-7-6-16-4-2-3-5-18(16)10-17)23-13-20-14-27(8-9-30-20)22-24-11-19(12-25-22)21(28)26-29/h2-7,10-12,20,23,29H,1,8-9,13-14H2,(H,26,28)
InChIKeyXRYORQWNJWVDTD-UHFFFAOYSA-N
XLogP2.21
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[2-[[(ethenylidene-naphthalen-2-yl-oxo-λ6-sulfanyl)amino]methyl]morpholin-4-yl]pyrimidin-5-yl]ethanone
CID 142804320
N-hydroxy-2-[2-[(2-oxo-3-phenylimidazol-1-yl)methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 59376181
N-hydroxy-2-[2-[[3-(4-methoxyphenyl)-2-oxoimidazol-1-yl]methyl]morpholin-4-yl]pyrimidine-5-carboxamide
CID 59376224
N-(oxolan-2-ylmethyl)-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109252363
N-[(4-methylmorpholin-2-yl)methyl]-2-naphthalen-2-ylacetamide
CID 49094018
N-hydroxy-2-[4-[2-(naphthalen-2-ylsulfonylamino)ethyl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 10127592
N-[[(2S)-4-phenylmorpholin-2-yl]methyl]-2H-triazole-4-carboxamide
CID 95726375
N-hydroxy-2-[(3R,4S)-3-(hydroxymethyl)-4-(naphthalen-2-ylsulfonylamino)piperidin-1-yl]pyrimidine-5-carboxamide;methanethioyl iodide
CID 160860590
1-benzyl-N-[[(2R)-4-benzylmorpholin-2-yl]methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 30531698
5-methyl-N-[[4-(7H-pyrrolo[2,3-d]pyrimidin-2-yl)morpholin-2-yl]methyl]-1,2-thiazole-4-carboxamide
CID 166434782
N-[(4-phenylmorpholin-2-yl)methyl]acetamide
CID 70790066
N-[(4-benzylmorpholin-2-yl)methyl]-2-chloroquinoline-6-carboxamide
CID 55731163

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide (CID 142804321) is N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide is C=C(NCC1CN(c2ncc(C(=O)NO)cn2)CCO1)c1ccc2ccccc2c1.
What is the InChIKey of N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is XRYORQWNJWVDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-15(17-7-6-16-4-2-3-5-18(16)10-17)23-13-20-14-27(8-9-30-20)22-24-11-19(12-25-22)21(28)26-29/h2-7,10-12,20,23,29H,1,8-9,13-14H2,(H,26,28).
What are the key properties of N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide?
N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[2-[(1-naphthalen-2-ylethenylamino)methyl]morpholin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 142804321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).