N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide

C19H18ClN5O2 — CID 60505824

IUPACN-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cnn(Cc2ccccc2)c(=O)c1Cl)c1cccnc1
InChIInChI=1S/C19H18ClN5O2/c20-17-16(22-9-10-23-18(26)15-7-4-8-21-11-15)12-24-25(19(17)27)13-14-5-2-1-3-6-14/h1-8,11-12,22H,9-10,13H2,(H,23,26)
InChIKeyDHUREARZWKQFLM-UHFFFAOYSA-N
MW383.84 g/mol
LogP2.18
Rot. Bonds7

About N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 60505824) has the molecular formula C19H18ClN5O2 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide
PubChem CID60505824
Molecular FormulaC19H18ClN5O2
Molecular Weight383.84 g/mol
Exact Mass383.11
IUPAC NameN-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNc1cnn(Cc2ccccc2)c(=O)c1Cl)c1cccnc1
InChIInChI=1S/C19H18ClN5O2/c20-17-16(22-9-10-23-18(26)15-7-4-8-21-11-15)12-24-25(19(17)27)13-14-5-2-1-3-6-14/h1-8,11-12,22H,9-10,13H2,(H,23,26)
InChIKeyDHUREARZWKQFLM-UHFFFAOYSA-N
XLogP2.18
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-(2-pyridin-3-ylethylamino)pyridazin-3-one
CID 114433930
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
N-[2-(1-benzylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 134039644
N-benzylpyridine-3-carboxamide chloride
CID 21204170
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
2-benzyl-4-chloro-5-[[1-(2-hydroxyethyl)cyclopropyl]methylamino]pyridazin-3-one
CID 133496774
2-benzyl-4-chloro-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 55346837
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
4-[(2-benzyl-3-oxo-5-phenoxypyridazin-4-yl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 46002819
2-benzyl-4-chloro-5-[[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]amino]pyridazin-3-one
CID 133273149
1-benzyl-N-(2-pyridin-3-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 31399390
N-[2-[(N-benzyl-N'-methylcarbamimidoyl)amino]ethyl]pyridine-3-carboxamide
CID 110952536

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide (CID 60505824) is N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide is O=C(NCCNc1cnn(Cc2ccccc2)c(=O)c1Cl)c1cccnc1.
What is the InChIKey of N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is DHUREARZWKQFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O2/c20-17-16(22-9-10-23-18(26)15-7-4-8-21-11-15)12-24-25(19(17)27)13-14-5-2-1-3-6-14/h1-8,11-12,22H,9-10,13H2,(H,23,26).
What are the key properties of N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-benzyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 60505824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).