N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide

C21H21ClN8O2 — CID 21072732

IUPACN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccnc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCNCC2)nn1
InChIInChI=1S/C21H21ClN8O2/c22-14-4-6-17(25-13-14)27-21(32)19-15(3-1-9-24-19)26-20(31)16-5-7-18(29-28-16)30-11-2-8-23-10-12-30/h1,3-7,9,13,23H,2,8,10-12H2,(H,26,31)(H,25,27,32)
InChIKeyAYKUQVOOIBNWHL-UHFFFAOYSA-N
MW452.91 g/mol
LogP2.22
Rot. Bonds5

About N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide (PubChem CID 21072732) has the molecular formula C21H21ClN8O2 and a molecular weight of 452.91 g/mol. Its IUPAC name is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide
PubChem CID21072732
Molecular FormulaC21H21ClN8O2
Molecular Weight452.91 g/mol
Exact Mass452.15
IUPAC NameN-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccnc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCNCC2)nn1
InChIInChI=1S/C21H21ClN8O2/c22-14-4-6-17(25-13-14)27-21(32)19-15(3-1-9-24-19)26-20(31)16-5-7-18(29-28-16)30-11-2-8-23-10-12-30/h1,3-7,9,13,23H,2,8,10-12H2,(H,26,31)(H,25,27,32)
InChIKeyAYKUQVOOIBNWHL-UHFFFAOYSA-N
XLogP2.22
TPSA125.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.91
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide with MolForge

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Related Compounds

N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-2-(4-methyl-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 21072729
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4,5-difluorophenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide;hydrochloride
CID 21072733
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-methylphenyl]-5-(1,4-diazepan-1-yl)pyrazine-2-carboxamide
CID 58780359
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxyphenyl]-6-(1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 10184349
6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313945
5-chloro-N-(5-chloro-2-pyridinyl)-2-[[4-(1,4-diazepan-1-yl)benzoyl]amino]benzamide
CID 21075332
N-(2-chlorophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111816
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-4-fluorophenyl]-5-(1,4-diazepan-1-yl)pyrimidine-2-carboxamide
CID 10183642
N-(5-chloro-2-pyridinyl)-3-[(4-methylsulfanyl-2-piperidin-4-yloxybenzoyl)amino]pyridine-2-carboxamide
CID 11620252
N-(2-aminophenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119422691
tert-butyl 4-[6-[[2-[(5-chloro-2-pyridinyl)carbamoyl]-5-methoxycarbonylphenyl]carbamoyl]pyridazin-3-yl]-1,4-diazepane-1-carboxylate
CID 21072716
N-(2-methylphenyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111795

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide?
The IUPAC name of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide (CID 21072732) is N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide.
What is the SMILES notation for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide?
The canonical SMILES for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide is O=C(Nc1cccnc1C(=O)Nc1ccc(Cl)cn1)c1ccc(N2CCCNCC2)nn1.
What is the InChIKey of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide?
The InChIKey is AYKUQVOOIBNWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN8O2/c22-14-4-6-17(25-13-14)27-21(32)19-15(3-1-9-24-19)26-20(31)16-5-7-18(29-28-16)30-11-2-8-23-10-12-30/h1,3-7,9,13,23H,2,8,10-12H2,(H,26,31)(H,25,27,32).
What are the key properties of N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide?
N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide has a molecular weight of 452.91 g/mol, XLogP of 2.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-chloro-2-pyridinyl)carbamoyl]-3-pyridinyl]-6-(1,4-diazepan-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 21072732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).