N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide

C19H26N6O3 — CID 87264525

IUPACN-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide
SMILESCc1ccc2nc(NNC(=O)C(CCC3CCCC3)CN(O)C=O)nnc2c1
InChIInChI=1S/C19H26N6O3/c1-13-6-9-16-17(10-13)21-23-19(20-16)24-22-18(27)15(11-25(28)12-26)8-7-14-4-2-3-5-14/h6,9-10,12,14-15,28H,2-5,7-8,11H2,1H3,(H,22,27)(H,20,23,24)
InChIKeyGVLKABCMYHPUIB-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.21
Rot. Bonds9

About N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide

N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide (PubChem CID 87264525) has the molecular formula C19H26N6O3 and a molecular weight of 386.46 g/mol. Its IUPAC name is N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide
PubChem CID87264525
Molecular FormulaC19H26N6O3
Molecular Weight386.46 g/mol
Exact Mass386.21
IUPAC NameN-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide
SMILESCc1ccc2nc(NNC(=O)C(CCC3CCCC3)CN(O)C=O)nnc2c1
InChIInChI=1S/C19H26N6O3/c1-13-6-9-16-17(10-13)21-23-19(20-16)24-22-18(27)15(11-25(28)12-26)8-7-14-4-2-3-5-14/h6,9-10,12,14-15,28H,2-5,7-8,11H2,1H3,(H,22,27)(H,20,23,24)
InChIKeyGVLKABCMYHPUIB-UHFFFAOYSA-N
XLogP2.21
TPSA120.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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-[4,4-dimethyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]pentyl]-N-hydroxyformamide
CID 87263862
N-[2-cycloheptyl-3-[2-(7-methyl-1,2,4-benzotriazin-3-yl)hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87264085
N-[(2R)-3-[2-(6-chloro-1,2,4-benzotriazin-3-yl)hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87264399
N-[(2R)-2-[[[6-(cyclobutylamino)-5-fluoro-2-methylpyrimidin-4-yl]amino]carbamoyl]-4-cyclopentylbutyl]-N-hydroxyformamide
CID 163576394
N-[[(3R,5S)-3,5-dimethyl-1-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]cyclohexyl]methyl]-N-hydroxyformamide
CID 87739288
N-hydroxy-N-[(2S)-7,7,7-trifluoro-2-[[(5-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]heptyl]formamide
CID 87263947
(2R)-2-(cyclopentylmethyl)-N-[2,2-dimethyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-[formyl(hydroxy)amino]propanamide
CID 90746253
N-[(2S)-2-(cyclopentylmethyl)-3-[2-[5-(5-methyl-1,3,4-oxadiazol-2-yl)-4-(trifluoromethyl)pyrimidin-2-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 87263995
N-[(2R)-3-[amino-(7-methyl-1,2,4-benzotriazin-3-yl)amino]-2-(4-methylcyclohexyl)-3-oxopropyl]-N-hydroxyformamide
CID 87947246
N-[(2R)-2-[[[2-chloro-5-fluoro-6-[(2S,3R)-2,3,4-trimethylpiperazin-1-yl]pyrimidin-4-yl]amino]carbamoyl]-4-cyclopentylbutyl]-N-hydroxyformamide
CID 163513318
(2S)-1-[6-[2-[(2R)-4-cyclopentyl-2-[[formyl(hydroxy)amino]methyl]butanoyl]hydrazinyl]-5-fluoro-2-methylsulfanylpyrimidin-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 163928887
N-[(2S)-3-[2-[6-(cyclopentylamino)-5-fluoro-2-methylpyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 87209993

Frequently Asked Questions

What is the IUPAC name of N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide?
The IUPAC name of N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide (CID 87264525) is N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide.
What is the SMILES notation for N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide?
The canonical SMILES for N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide is Cc1ccc2nc(NNC(=O)C(CCC3CCCC3)CN(O)C=O)nnc2c1.
What is the InChIKey of N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide?
The InChIKey is GVLKABCMYHPUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O3/c1-13-6-9-16-17(10-13)21-23-19(20-16)24-22-18(27)15(11-25(28)12-26)8-7-14-4-2-3-5-14/h6,9-10,12,14-15,28H,2-5,7-8,11H2,1H3,(H,22,27)(H,20,23,24).
What are the key properties of N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide?
N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide has a molecular weight of 386.46 g/mol, XLogP of 2.21, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyclopentyl-2-[[(7-methyl-1,2,4-benzotriazin-3-yl)amino]carbamoyl]butyl]-N-hydroxyformamide is sourced from PubChem (CID 87264525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).