N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide

C15H17N5O3 — CID 57380745

IUPACN-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2cccc(N3CCOCC3)c2)nc1
InChIInChI=1S/C15H17N5O3/c21-14(19-22)11-9-16-15(17-10-11)18-12-2-1-3-13(8-12)20-4-6-23-7-5-20/h1-3,8-10,22H,4-7H2,(H,19,21)(H,16,17,18)
InChIKeyRFEHWHSWGYDBTJ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.18
Rot. Bonds4

About N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide

N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide (PubChem CID 57380745) has the molecular formula C15H17N5O3 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide
PubChem CID57380745
Molecular FormulaC15H17N5O3
Molecular Weight315.33 g/mol
Exact Mass315.13
IUPAC NameN-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(Nc2cccc(N3CCOCC3)c2)nc1
InChIInChI=1S/C15H17N5O3/c21-14(19-22)11-9-16-15(17-10-11)18-12-2-1-3-13(8-12)20-4-6-23-7-5-20/h1-3,8-10,22H,4-7H2,(H,19,21)(H,16,17,18)
InChIKeyRFEHWHSWGYDBTJ-UHFFFAOYSA-N
XLogP1.18
TPSA99.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.18
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

Ricolinostat
CID 53340666
3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
C2 Pyrido[2,3-d]pyrimidin-7-one deriv. 34
CID 5330220
Pyrido[2,3-d]pyrimidin-7-one 2
CID 5330331
2-((4-Morpholin-4-ylphenyl)amino)-4-((2,3,6-trifluorobenzyl)amino)pyrimidine-5-carboxamide
CID 10321901
2-(4-Morpholin-4-ylanilino)-4-[(2,4,6-trifluorophenyl)methylamino]pyrimidine-5-carboxamide
CID 44561163
8-(2-methoxyethyl)-2-phenylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330239
N8 Pyrido[2,3-d]pyrimidin-7-one deriv. 54
CID 5330240
4-(Benzylamino)-2-(4-morpholinophenylamino)pyrimidine-5-carboxamide
CID 9801356
4-[(2,6-Difluorobenzyl)amino]-2-[(4-morpholin-4-ylphenyl)amino]pyrimidine-5-carboxamide
CID 10071935
N-hydroxy-2-[4-[(E)-1-methoxy-4-phenylbut-3-en-2-yl]piperazin-1-yl]pyrimidine-5-carboxamide
CID 11494701
N-hydroxy-2-[4-[[[(E)-1-hydroxy-4-phenylbut-3-en-2-yl]amino]methyl]piperidin-1-yl]pyrimidine-5-carboxamide
CID 11957768

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide (CID 57380745) is N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide is O=C(NO)c1cnc(Nc2cccc(N3CCOCC3)c2)nc1.
What is the InChIKey of N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is RFEHWHSWGYDBTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O3/c21-14(19-22)11-9-16-15(17-10-11)18-12-2-1-3-13(8-12)20-4-6-23-7-5-20/h1-3,8-10,22H,4-7H2,(H,19,21)(H,16,17,18).
What are the key properties of N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide?
N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(3-morpholin-4-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 57380745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).