2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide

C20H32FN5O3 — CID 143338720

IUPAC2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide
SMILESC[C@@H](F)CN(CCNc1cccnn1)C(=O)C(CC1CCCCC1)CN(O)C=O
InChIInChI=1S/C20H32FN5O3/c1-16(21)13-25(11-10-22-19-8-5-9-23-24-19)20(28)18(14-26(29)15-27)12-17-6-3-2-4-7-17/h5,8-9,15-18,29H,2-4,6-7,10-14H2,1H3,(H,22,24)/t16-,18?/m1/s1
InChIKeyPIZAIPBTBLTSOX-PYUWXLGESA-N
MW409.51 g/mol
LogP2.51
Rot. Bonds12

About 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide

2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide (PubChem CID 143338720) has the molecular formula C20H32FN5O3 and a molecular weight of 409.51 g/mol. Its IUPAC name is 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide
PubChem CID143338720
Molecular FormulaC20H32FN5O3
Molecular Weight409.51 g/mol
Exact Mass409.25
IUPAC Name2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide
SMILESC[C@@H](F)CN(CCNc1cccnn1)C(=O)C(CC1CCCCC1)CN(O)C=O
InChIInChI=1S/C20H32FN5O3/c1-16(21)13-25(11-10-22-19-8-5-9-23-24-19)20(28)18(14-26(29)15-27)12-17-6-3-2-4-7-17/h5,8-9,15-18,29H,2-4,6-7,10-14H2,1H3,(H,22,24)/t16-,18?/m1/s1
InChIKeyPIZAIPBTBLTSOX-PYUWXLGESA-N
XLogP2.51
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.51
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide?
The IUPAC name of 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide (CID 143338720) is 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide.
What is the SMILES notation for 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide?
The canonical SMILES for 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide is C[C@@H](F)CN(CCNc1cccnn1)C(=O)C(CC1CCCCC1)CN(O)C=O.
What is the InChIKey of 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide?
The InChIKey is PIZAIPBTBLTSOX-PYUWXLGESA-N. The full InChI is InChI=1S/C20H32FN5O3/c1-16(21)13-25(11-10-22-19-8-5-9-23-24-19)20(28)18(14-26(29)15-27)12-17-6-3-2-4-7-17/h5,8-9,15-18,29H,2-4,6-7,10-14H2,1H3,(H,22,24)/t16-,18?/m1/s1.
What are the key properties of 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide?
2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide has a molecular weight of 409.51 g/mol, XLogP of 2.51, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethyl)-N-[(2R)-2-fluoropropyl]-3-[formyl(hydroxy)amino]-N-[2-(pyridazin-3-ylamino)ethyl]propanamide is sourced from PubChem (CID 143338720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).