N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide

C17H23N5O3 — CID 96512685

IUPACN-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCO[C@H](CNc2cccnn2)C1)c1ccco1
InChIInChI=1S/C17H23N5O3/c1-13(15-4-3-8-25-15)20-17(23)12-22-7-9-24-14(11-22)10-18-16-5-2-6-19-21-16/h2-6,8,13-14H,7,9-12H2,1H3,(H,18,21)(H,20,23)/t13-,14-/m1/s1
InChIKeyXXGPVTNWXMGTKF-ZIAGYGMSSA-N
MW345.40 g/mol
LogP1.06
Rot. Bonds7

About N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide

N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide (PubChem CID 96512685) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
PubChem CID96512685
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC NameN-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
SMILESC[C@@H](NC(=O)CN1CCO[C@H](CNc2cccnn2)C1)c1ccco1
InChIInChI=1S/C17H23N5O3/c1-13(15-4-3-8-25-15)20-17(23)12-22-7-9-24-14(11-22)10-18-16-5-2-6-19-21-16/h2-6,8,13-14H,7,9-12H2,1H3,(H,18,21)(H,20,23)/t13-,14-/m1/s1
InChIKeyXXGPVTNWXMGTKF-ZIAGYGMSSA-N
XLogP1.06
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide with MolForge

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Related Compounds

N-propan-2-yl-3-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512499
2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96512525
N-[[(2R)-4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512611
N-[[4-(2-methylsulfonylethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872271
N-(1-adamantylmethyl)-N-methyl-2-[2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide
CID 167864026
N-[[(2S)-4-(1,2-oxazol-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512678
N-[1-(furan-2-yl)ethyl]-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide
CID 55168863
N-[[(2R)-4-(oxan-4-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 96512573
N-[[4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872216
(2S)-N-prop-2-enyl-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 96512625
N-[[4-(oxolan-3-ylmethyl)morpholin-2-yl]methyl]pyridazin-3-amine
CID 71872272
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]propanamide
CID 100858546

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide?
The IUPAC name of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide (CID 96512685) is N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide.
What is the SMILES notation for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide?
The canonical SMILES for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide is C[C@@H](NC(=O)CN1CCO[C@H](CNc2cccnn2)C1)c1ccco1.
What is the InChIKey of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide?
The InChIKey is XXGPVTNWXMGTKF-ZIAGYGMSSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-13(15-4-3-8-25-15)20-17(23)12-22-7-9-24-14(11-22)10-18-16-5-2-6-19-21-16/h2-6,8,13-14H,7,9-12H2,1H3,(H,18,21)(H,20,23)/t13-,14-/m1/s1.
What are the key properties of N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide?
N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(furan-2-yl)ethyl]-2-[(2R)-2-[(pyridazin-3-ylamino)methyl]morpholin-4-yl]acetamide is sourced from PubChem (CID 96512685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).