N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide

C18H19ClN4O5 — CID 118652260

IUPACN-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2Cl)[C@@H]1O)c1ccnnc1
InChIInChI=1S/C18H19ClN4O5/c19-13-4-2-1-3-12(13)17(26)21-9-18(27)10-28-14(15(18)24)8-20-16(25)11-5-6-22-23-7-11/h1-7,14-15,24,27H,8-10H2,(H,20,25)(H,21,26)/t14-,15-,18+/m1/s1
InChIKeyTXQAPEPRBOTIMB-RKVPGOIHSA-N
MW406.83 g/mol
LogP-0.22
Rot. Bonds6

About N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide

N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide (PubChem CID 118652260) has the molecular formula C18H19ClN4O5 and a molecular weight of 406.83 g/mol. Its IUPAC name is N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
PubChem CID118652260
Molecular FormulaC18H19ClN4O5
Molecular Weight406.83 g/mol
Exact Mass406.10
IUPAC NameN-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide
SMILESO=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2Cl)[C@@H]1O)c1ccnnc1
InChIInChI=1S/C18H19ClN4O5/c19-13-4-2-1-3-12(13)17(26)21-9-18(27)10-28-14(15(18)24)8-20-16(25)11-5-6-22-23-7-11/h1-7,14-15,24,27H,8-10H2,(H,20,25)(H,21,26)/t14-,15-,18+/m1/s1
InChIKeyTXQAPEPRBOTIMB-RKVPGOIHSA-N
XLogP-0.22
TPSA133.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide with MolForge

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Related Compounds

N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-phenylbenzoyl)amino]methyl]oxolan-2-yl]methyl]pyridazine-4-carboxamide
CID 118652064
2-chloro-N-[[(2R,3R,4S)-3,4-dihydroxy-4-[[(4-methoxybenzoyl)amino]methyl]oxolan-2-yl]methyl]benzamide
CID 118648786
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-4,6-dichloropyridine-3-carboxamide
CID 129185589
N-[[(2R,3R,4S)-4-(benzamidomethyl)-3,4-dihydroxyoxolan-2-yl]methyl]pyrimidine-2-carboxamide
CID 118652204
N-[[(3aS,6R,6aR)-6-[[(2-chlorobenzoyl)amino]methyl]-2,2-dimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridine-4-carboxamide
CID 118652009
N-[[(2R,3R,4S)-4-(2-benzamidoethyl)-3,4-dihydroxyoxolan-2-yl]methyl]-2-chloropyridine-3-carboxamide
CID 129206718
N-[[(3aS,6R,6aR)-2,2-dimethyl-6-[[(4-phenylbenzoyl)amino]methyl]-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-3a-yl]methyl]pyridazine-4-carboxamide
CID 118652106
N-[[(2R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 118652223
N-[[(2R,3R,4S)-4-[[benzoyl(methyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]benzamide
CID 129185581
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-[[(2R,3S,4R)-4-[[benzoyl(hydroxy)amino]methyl]-3-hydroxy-4-methyloxolan-2-yl]methyl]-4-chloropyridine-3-carboxamide
CID 134466612
2-chloro-N-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]phenyl]benzamide
CID 26256690

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide (CID 118652260) is N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide is O=C(NC[C@H]1OC[C@@](O)(CNC(=O)c2ccccc2Cl)[C@@H]1O)c1ccnnc1.
What is the InChIKey of N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is TXQAPEPRBOTIMB-RKVPGOIHSA-N. The full InChI is InChI=1S/C18H19ClN4O5/c19-13-4-2-1-3-12(13)17(26)21-9-18(27)10-28-14(15(18)24)8-20-16(25)11-5-6-22-23-7-11/h1-7,14-15,24,27H,8-10H2,(H,20,25)(H,21,26)/t14-,15-,18+/m1/s1.
What are the key properties of N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide?
N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 406.83 g/mol, XLogP of -0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S)-4-[[(2-chlorobenzoyl)amino]methyl]-3,4-dihydroxyoxolan-2-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 118652260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).