N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

C17H14ClN5O2 — CID 139521565

IUPACN-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cc3cncc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C17H14ClN5O2/c1-23-16(24)5-3-14(22-23)17(25)21-15-4-2-11(9-20-15)6-12-7-13(18)10-19-8-12/h2-5,7-10H,6H2,1H3,(H,20,21,25)
InChIKeySUUJYFGPIWZBES-UHFFFAOYSA-N
MW355.79 g/mol
LogP2.07
Rot. Bonds4

About N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide

N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 139521565) has the molecular formula C17H14ClN5O2 and a molecular weight of 355.79 g/mol. Its IUPAC name is N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID139521565
Molecular FormulaC17H14ClN5O2
Molecular Weight355.79 g/mol
Exact Mass355.08
IUPAC NameN-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccc(Cc3cncc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C17H14ClN5O2/c1-23-16(24)5-3-14(22-23)17(25)21-15-4-2-11(9-20-15)6-12-7-13(18)10-19-8-12/h2-5,7-10H,6H2,1H3,(H,20,21,25)
InChIKeySUUJYFGPIWZBES-UHFFFAOYSA-N
XLogP2.07
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.79
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide (CID 139521565) is N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccc(Cc3cncc(Cl)c3)cn2)ccc1=O.
What is the InChIKey of N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is SUUJYFGPIWZBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O2/c1-23-16(24)5-3-14(22-23)17(25)21-15-4-2-11(9-20-15)6-12-7-13(18)10-19-8-12/h2-5,7-10H,6H2,1H3,(H,20,21,25).
What are the key properties of N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide?
N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 355.79 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-chloro-3-pyridinyl)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139521565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).