N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

C16H25N5O4 — CID 87356364

IUPACN-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCOCC2)nc1)NO
InChIInChI=1S/C16H25N5O4/c22-14(20-24)5-3-1-2-4-6-17-15(23)13-11-18-16(19-12-13)21-7-9-25-10-8-21/h11-12,24H,1-10H2,(H,17,23)(H,20,22)
InChIKeyXKHKHYYGNHBPIB-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.50
Rot. Bonds9

About N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide

N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (PubChem CID 87356364) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
PubChem CID87356364
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC NameN-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide
SMILESO=C(CCCCCCNC(=O)c1cnc(N2CCOCC2)nc1)NO
InChIInChI=1S/C16H25N5O4/c22-14(20-24)5-3-1-2-4-6-17-15(23)13-11-18-16(19-12-13)21-7-9-25-10-8-21/h11-12,24H,1-10H2,(H,17,23)(H,20,22)
InChIKeyXKHKHYYGNHBPIB-UHFFFAOYSA-N
XLogP0.50
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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-(2-(hydroxymethyl)morpholino)pyrimidine-5-carboxamide [177]
CID 87356103
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, 2-(4-carbamoylpiperidin-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [179]
CID 87356436
US8609678, 2-(1,4-diazepan-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [186]
CID 87365548
US8609678, (S)-N-(7-(hydroxyamino)-7-oxoheptyl)-2-(2-(hydroxymethyl)pyrrolidin-1-yl)pyrimidine-5-carboxamide [183]
CID 88055039
US8609678, (R)-2-(3-(dimethylamino)pyrrolidin-1-yl)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [182]
CID 88055360
US8609678, (R)-N-(7-(hydroxyamino)-7-oxoheptyl)-2-(3-hydroxypiperidin-1-yl)pyrimidine-5-carboxamide [178]
CID 88055371

Frequently Asked Questions

What is the IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide (CID 87356364) is N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is O=C(CCCCCCNC(=O)c1cnc(N2CCOCC2)nc1)NO.
What is the InChIKey of N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
The InChIKey is XKHKHYYGNHBPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c22-14(20-24)5-3-1-2-4-6-17-15(23)13-11-18-16(19-12-13)21-7-9-25-10-8-21/h11-12,24H,1-10H2,(H,17,23)(H,20,22).
What are the key properties of N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide?
N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide has a molecular weight of 351.41 g/mol, XLogP of 0.50, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(hydroxyamino)-7-oxoheptyl]-2-morpholin-4-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 87356364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).