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

C21H28FN7O3 — CID 58000670

IUPACN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NCc2ccccn2)c(F)c(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)n1
InChIInChI=1S/C21H28FN7O3/c1-14-25-19(24-11-17-8-4-5-9-23-17)18(22)20(26-14)27-28-21(31)16(12-29(32)13-30)10-15-6-2-3-7-15/h4-5,8-9,13,15-16,32H,2-3,6-7,10-12H2,1H3,(H,28,31)(H2,24,25,26,27)/t16-/m1/s1
InChIKeyCDCVGHFUQRLPEC-MRXNPFEDSA-N
MW445.50 g/mol
LogP2.42
Rot. Bonds11

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

N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (PubChem CID 58000670) has the molecular formula C21H28FN7O3 and a molecular weight of 445.50 g/mol. Its IUPAC name is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
PubChem CID58000670
Molecular FormulaC21H28FN7O3
Molecular Weight445.50 g/mol
Exact Mass445.22
IUPAC NameN-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide
SMILESCc1nc(NCc2ccccn2)c(F)c(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)n1
InChIInChI=1S/C21H28FN7O3/c1-14-25-19(24-11-17-8-4-5-9-23-17)18(22)20(26-14)27-28-21(31)16(12-29(32)13-30)10-15-6-2-3-7-15/h4-5,8-9,13,15-16,32H,2-3,6-7,10-12H2,1H3,(H,28,31)(H2,24,25,26,27)/t16-/m1/s1
InChIKeyCDCVGHFUQRLPEC-MRXNPFEDSA-N
XLogP2.42
TPSA132.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 52.42
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The IUPAC name of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide (CID 58000670) is N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)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-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The canonical SMILES for N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is Cc1nc(NCc2ccccn2)c(F)c(NNC(=O)[C@H](CC2CCCC2)CN(O)C=O)n1.
What is the InChIKey of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
The InChIKey is CDCVGHFUQRLPEC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H28FN7O3/c1-14-25-19(24-11-17-8-4-5-9-23-17)18(22)20(26-14)27-28-21(31)16(12-29(32)13-30)10-15-6-2-3-7-15/h4-5,8-9,13,15-16,32H,2-3,6-7,10-12H2,1H3,(H,28,31)(H2,24,25,26,27)/t16-/m1/s1.
What are the key properties of N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide?
N-[(2R)-2-(cyclopentylmethyl)-3-[2-[5-fluoro-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide has a molecular weight of 445.50 g/mol, XLogP of 2.42, 11 rotatable bonds, 4 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-(pyridin-2-ylmethylamino)pyrimidin-4-yl]hydrazinyl]-3-oxopropyl]-N-hydroxyformamide is sourced from PubChem (CID 58000670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).