N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

C22H30FN7O3 — CID 58000649

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C22H30FN7O3/c1-15-25-20(19(23)21(26-15)29(2)12-17-7-9-24-10-8-17)27-28-22(32)18(13-30(33)14-31)11-16-5-3-4-6-16/h7-10,14,16,18,33H,3-6,11-13H2,1-2H3,(H,28,32)(H,25,26,27)/t18-/m1/s1
InChIKeyFLZADTMFQZLUQV-GOSISDBHSA-N
MW459.53 g/mol
LogP2.44
Rot. Bonds11

About N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000649) has the molecular formula C22H30FN7O3 and a molecular weight of 459.53 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000649
Molecular FormulaC22H30FN7O3
Molecular Weight459.53 g/mol
Exact Mass459.24
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N(C)Cc2ccncc2)n1
InChIInChI=1S/C22H30FN7O3/c1-15-25-20(19(23)21(26-15)29(2)12-17-7-9-24-10-8-17)27-28-22(32)18(13-30(33)14-31)11-16-5-3-4-6-16/h7-10,14,16,18,33H,3-6,11-13H2,1-2H3,(H,28,32)(H,25,26,27)/t18-/m1/s1
InChIKeyFLZADTMFQZLUQV-GOSISDBHSA-N
XLogP2.44
TPSA123.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-methyl-2-pyridinyl)diazinane-3-carboxamide
CID 155541590
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(4-methyl-2-pyridinyl)diazinane-3-carboxamide
CID 155557831
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(5-fluoro-2-pyridinyl)diazinane-3-carboxamide
CID 155560644
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-(3-methyl-2-pyridinyl)diazinane-3-carboxamide
CID 155511474
(3S)-2-[(2R)-2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-N-methyl-N-pyridin-2-yldiazinane-3-carboxamide
CID 155535353
2-[2-[(2R)-2-[[formyl(hydroxy)amino]methyl]heptanoyl]hydrazinyl]-N-methyl-N-pyridin-2-yl-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10480985
N'-(2-cyanopyrimidin-4-yl)-2-(4-fluorophenyl)-N'-(2-methylpropyl)acetohydrazide
CID 11702619
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-6-[(5-fluoro-2-pyridinyl)amino]-2-methylpyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000558
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(3-pyridin-3-ylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
CID 58000560
N-[(2R)-3-[2-[2-chloro-5-fluoro-6-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]pyrimidin-4-yl]hydrazinyl]-2-(cyclopentylmethyl)-3-oxopropyl]-N-hydroxyformamide
CID 58000561
{(2R)-2-(cyclopentylmethyl)-3-[2-(5-fluoro-2-methyl-6-{methyl[2-(4-pyridinyl)ethyl]amino}-4-pyrimidinyl)hydrazino]-3-oxopropyl}hydroxyformamide
CID 58000589
[(2R)-3-(2-{2-chloro-5-fluoro-6-[methyl(4-pyridinylmethyl)amino]-4-pyrimidinyl}hydrazino)-2-(cyclopentylmethyl)-3-oxopropyl]hydroxyformamide
CID 58000606

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000649) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.
What is the SMILES notation for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)c(F)c(N(C)Cc2ccncc2)n1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is FLZADTMFQZLUQV-GOSISDBHSA-N. The full InChI is InChI=1S/C22H30FN7O3/c1-15-25-20(19(23)21(26-15)29(2)12-17-7-9-24-10-8-17)27-28-22(32)18(13-30(33)14-31)11-16-5-3-4-6-16/h7-10,14,16,18,33H,3-6,11-13H2,1-2H3,(H,28,32)(H,25,26,27)/t18-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 459.53 g/mol, XLogP of 2.44, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-[methyl(pyridin-4-ylmethyl)amino]pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).