N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide

C16H15N5O2 — CID 11996476

IUPACN-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCc3[nH]c4ccccc4c3C2)nc1
InChIInChI=1S/C16H15N5O2/c22-15(20-23)10-7-17-16(18-8-10)21-6-5-14-12(9-21)11-3-1-2-4-13(11)19-14/h1-4,7-8,19,23H,5-6,9H2,(H,20,22)
InChIKeyJHWDORJNAWVULV-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.64
Rot. Bonds2

About N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide

N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide (PubChem CID 11996476) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
PubChem CID11996476
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide
SMILESO=C(NO)c1cnc(N2CCc3[nH]c4ccccc4c3C2)nc1
InChIInChI=1S/C16H15N5O2/c22-15(20-23)10-7-17-16(18-8-10)21-6-5-14-12(9-21)11-3-1-2-4-13(11)19-14/h1-4,7-8,19,23H,5-6,9H2,(H,20,22)
InChIKeyJHWDORJNAWVULV-UHFFFAOYSA-N
XLogP1.64
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', '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

N-hydroxy-2-[8-[3-(methanesulfonamido)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997405
N-hydroxy-2-[7-[3-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997694
2-(2-hydroxyethylamino)ethanol;N-hydroxy-2-[8-(3-methylphenyl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 87461512
N-hydroxy-2-[8-[3-(methanesulfonamidomethyl)phenyl]-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11997536
N-hydroxy-2-[7-(morpholin-4-ylmethyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11996041
N-hydroxy-2-[7-[(4-methylpiperazin-1-yl)methyl]-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]pyrimidine-5-carboxamide
CID 11996186
methyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate
CID 23883966
N-hydroxy-6-oxo-6-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)hexanamide
CID 155670974
N-hydroxy-8-oxo-8-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)octanamide
CID 155670972
2-(5-pyridin-2-ylpyrimidin-2-yl)-1,3,4,9-tetrahydropyrido[3,4-b]indole
CID 141492986
2-amino-1-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)ethanone
CID 60718919
N-(cyclopropylmethyl)-6-morpholin-4-yl-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-4-carboxamide
CID 151421558

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide (CID 11996476) is N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide is O=C(NO)c1cnc(N2CCc3[nH]c4ccccc4c3C2)nc1.
What is the InChIKey of N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide?
The InChIKey is JHWDORJNAWVULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-15(20-23)10-7-17-16(18-8-10)21-6-5-14-12(9-21)11-3-1-2-4-13(11)19-14/h1-4,7-8,19,23H,5-6,9H2,(H,20,22).
What are the key properties of N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide?
N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 11996476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).