N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide

C17H27N5O5 — CID 87356103

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCOC(CO)C2)nc1)NO
InChIInChI=1S/C17H27N5O5/c23-12-14-11-22(7-8-27-14)17-19-9-13(10-20-17)16(25)18-6-4-2-1-3-5-15(24)21-26/h9-10,14,23,26H,1-8,11-12H2,(H,18,25)(H,21,24)
InChIKeyMDWVRXTZYRBEEA-UHFFFAOYSA-N
MW381.43 g/mol
LogP-0.14
Rot. Bonds10

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide (PubChem CID 87356103) has the molecular formula C17H27N5O5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide
PubChem CID87356103
Molecular FormulaC17H27N5O5
Molecular Weight381.43 g/mol
Exact Mass381.20
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCOC(CO)C2)nc1)NO
InChIInChI=1S/C17H27N5O5/c23-12-14-11-22(7-8-27-14)17-19-9-13(10-20-17)16(25)18-6-4-2-1-3-5-15(24)21-26/h9-10,14,23,26H,1-8,11-12H2,(H,18,25)(H,21,24)
InChIKeyMDWVRXTZYRBEEA-UHFFFAOYSA-N
XLogP-0.14
TPSA136.91 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide [188]
CID 87356065
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(piperidin-1-yl)pyrimidine-5-carboxamide [187]
CID 87356117
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-(2-methoxyethyl)piperazin-1-yl)pyrimidine-5-carboxamide [175]
CID 87356148
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(4-(2-hydroxyethyl)piperazin-1-yl)pyrimidine-5-carboxamide [170]
CID 87356155
US8609678, 2-((2S,6R)-2,6-dimethylmorpholino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [167]
CID 87356218
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-(piperazin-1-yl)pyrimidine-5-carboxamide [168]
CID 87356244
US8609678, N-(7-(hydroxyamino)-7-oxoheptyl)-2-morpholinopyrimidine-5-carboxamide [166]
CID 87356364
US8609678, 2-(4-carbamoylpiperidin-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [179]
CID 87356436
US8609678, (S)-N-(7-(hydroxyamino)-7-oxoheptyl)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxamide [183]
CID 88055039
US8609678, (R)-N-(7-(hydroxyamino)-7-oxoheptyl)-2-(3-hydroxypiperidin-1-yl)pyrimidine-5-carboxamide [178]
CID 88055371
1,5-anhydro-2,3-dideoxy-3-({[2-(methylamino)pyrimidin-5-yl]carbonyl}amino)-D-threo-pentitol
CID 91785024
N-[(3R,4S,5S,6R)-6-[(4-amino-5-fluoro-2-oxopyrimidin-1-yl)methyl]-4,5-dihydroxyoxan-3-yl]-2-(dimethylamino)pyrimidine-5-carboxamide
CID 156001594

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide (CID 87356103) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(N2CCOC(CO)C2)nc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide?
The InChIKey is MDWVRXTZYRBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O5/c23-12-14-11-22(7-8-27-14)17-19-9-13(10-20-17)16(25)18-6-4-2-1-3-5-15(24)21-26/h9-10,14,23,26H,1-8,11-12H2,(H,18,25)(H,21,24).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide has a molecular weight of 381.43 g/mol, XLogP of -0.14, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-[2-(hydroxymethyl)morpholin-4-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 87356103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).