N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide

C21H22N4O2 — CID 118650745

IUPACN-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide
SMILESCN(C1N=CC(C(=O)NO)=CN1)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H22N4O2/c1-25(21-22-12-16(13-23-21)20(26)24-27)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,12-13,19,21-22,27H,10-11H2,1H3,(H,24,26)
InChIKeyPBQQOFLVAZKWQI-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.15
Rot. Bonds3

About N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide

N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide (PubChem CID 118650745) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide
PubChem CID118650745
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide
SMILESCN(C1N=CC(C(=O)NO)=CN1)C1c2ccccc2CCc2ccccc21
InChIInChI=1S/C21H22N4O2/c1-25(21-22-12-16(13-23-21)20(26)24-27)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,12-13,19,21-22,27H,10-11H2,1H3,(H,24,26)
InChIKeyPBQQOFLVAZKWQI-UHFFFAOYSA-N
XLogP2.15
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]pyrimidine-5-carboxamide
CID 59783464
methyl tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
CID 83985069
N-bromo-N-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 87131302
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 12515647
N-(furan-2-ylmethyl)-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetamide
CID 101142941
N,N-dimethyl-1-phenyl-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 121225936
N-[2-(dimethylamino)ethyl]-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)formamide
CID 97356952
4-(dimethylamino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 4681400
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-(3-methylbutan-2-yl)acetamide
CID 134052147
2-[[(1R)-1-cyclopropylethyl]-methylamino]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 98750995
2-[methyl-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]acetic acid
CID 118026509
methyl N-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)acetyl]carbamate
CID 70238152

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide?
The IUPAC name of N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide (CID 118650745) is N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide?
The canonical SMILES for N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide is CN(C1N=CC(C(=O)NO)=CN1)C1c2ccccc2CCc2ccccc21.
What is the InChIKey of N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide?
The InChIKey is PBQQOFLVAZKWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-25(21-22-12-16(13-23-21)20(26)24-27)19-17-8-4-2-6-14(17)10-11-15-7-3-5-9-18(15)19/h2-9,12-13,19,21-22,27H,10-11H2,1H3,(H,24,26).
What are the key properties of N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide?
N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]-1,2-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 118650745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).