6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide

C22H21ClN6O2 — CID 133313945

IUPAC6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nn1
InChIInChI=1S/C22H21ClN6O2/c23-16-6-8-19(24-14-16)26-21(30)15-10-12-29(13-11-15)20-9-7-18(27-28-20)22(31)25-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,25,31)(H,24,26,30)
InChIKeyDPTITRKJOUIKQT-UHFFFAOYSA-N
MW436.90 g/mol
LogP3.63
Rot. Bonds5

About 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide

6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide (PubChem CID 133313945) has the molecular formula C22H21ClN6O2 and a molecular weight of 436.90 g/mol. Its IUPAC name is 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
PubChem CID133313945
Molecular FormulaC22H21ClN6O2
Molecular Weight436.90 g/mol
Exact Mass436.14
IUPAC Name6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1ccc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nn1
InChIInChI=1S/C22H21ClN6O2/c23-16-6-8-19(24-14-16)26-21(30)15-10-12-29(13-11-15)20-9-7-18(27-28-20)22(31)25-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,25,31)(H,24,26,30)
InChIKeyDPTITRKJOUIKQT-UHFFFAOYSA-N
XLogP3.63
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.90
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-chloro-2-pyridinyl)-1-N-phenylpiperidine-1,4-dicarboxamide
CID 51180162
1-(1-anilino-1-oxopropan-2-yl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 55816221
1-(5-chloro-2-pyridinyl)-N-(4-hydroxyphenyl)piperidine-4-carboxamide
CID 71935267
N-(2-chlorophenyl)-1-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 38952409
1-[6-(ethylamino)pyridazin-3-yl]-N-phenylpiperidine-4-carboxamide
CID 117092980
6-morpholin-4-yl-N-phenylpyridazine-3-carboxamide
CID 109114518
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
1-(6-methylpyridazin-3-yl)-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 121119029
6-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-phenylpyridazine-3-carboxamide
CID 133313221
1-(2-chloro-4-pyridinyl)-N-(5-chloro-2-pyridinyl)piperidine-4-carboxamide
CID 133359811
N-(5-chloro-2-pyridinyl)-1-(3,3-diphenylpropanoyl)piperidine-4-carboxamide
CID 55813160
6-(3-methylsulfonylpyrrolidin-1-yl)-N-phenylpyridazine-3-carboxamide
CID 136540496

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The IUPAC name of 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide (CID 133313945) is 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The canonical SMILES for 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide is O=C(Nc1ccccc1)c1ccc(N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)nn1.
What is the InChIKey of 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
The InChIKey is DPTITRKJOUIKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN6O2/c23-16-6-8-19(24-14-16)26-21(30)15-10-12-29(13-11-15)20-9-7-18(27-28-20)22(31)25-17-4-2-1-3-5-17/h1-9,14-15H,10-13H2,(H,25,31)(H,24,26,30).
What are the key properties of 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide?
6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide has a molecular weight of 436.90 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(5-chloro-2-pyridinyl)carbamoyl]piperidin-1-yl]-N-phenylpyridazine-3-carboxamide is sourced from PubChem (CID 133313945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).