N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide

C18H16ClN5O2 — CID 165133941

IUPACN-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide
SMILESO=CNc1cc(NCc2ccc(Cn3cc(Cl)ccc3=O)cc2)cnn1
InChIInChI=1S/C18H16ClN5O2/c19-15-5-6-18(26)24(11-15)10-14-3-1-13(2-4-14)8-20-16-7-17(21-12-25)23-22-9-16/h1-7,9,11-12H,8,10H2,(H2,20,21,23,25)
InChIKeyUNYTVNFZDYPXFA-UHFFFAOYSA-N
MW369.81 g/mol
LogP2.52
Rot. Bonds7

About N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide

N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide (PubChem CID 165133941) has the molecular formula C18H16ClN5O2 and a molecular weight of 369.81 g/mol. Its IUPAC name is N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide.

Molecular Properties

Compound NameN-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide
PubChem CID165133941
Molecular FormulaC18H16ClN5O2
Molecular Weight369.81 g/mol
Exact Mass369.10
IUPAC NameN-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide
SMILESO=CNc1cc(NCc2ccc(Cn3cc(Cl)ccc3=O)cc2)cnn1
InChIInChI=1S/C18H16ClN5O2/c19-15-5-6-18(26)24(11-15)10-14-3-1-13(2-4-14)8-20-16-7-17(21-12-25)23-22-9-16/h1-7,9,11-12H,8,10H2,(H2,20,21,23,25)
InChIKeyUNYTVNFZDYPXFA-UHFFFAOYSA-N
XLogP2.52
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide?
The IUPAC name of N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide (CID 165133941) is N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide.
What is the SMILES notation for N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide?
The canonical SMILES for N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide is O=CNc1cc(NCc2ccc(Cn3cc(Cl)ccc3=O)cc2)cnn1.
What is the InChIKey of N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide?
The InChIKey is UNYTVNFZDYPXFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O2/c19-15-5-6-18(26)24(11-15)10-14-3-1-13(2-4-14)8-20-16-7-17(21-12-25)23-22-9-16/h1-7,9,11-12H,8,10H2,(H2,20,21,23,25).
What are the key properties of N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide?
N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide has a molecular weight of 369.81 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-[(5-chloro-2-oxo-1-pyridinyl)methyl]phenyl]methylamino]pyridazin-3-yl]formamide is sourced from PubChem (CID 165133941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).