1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide

C20H21ClN8O — CID 35367747

IUPAC1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C20H21ClN8O/c21-17-6-7-18(24-23-17)28-10-8-13(9-11-28)20(30)22-15-3-1-2-14(12-15)19-25-26-27-29(19)16-4-5-16/h1-3,6-7,12-13,16H,4-5,8-11H2,(H,22,30)
InChIKeyPAQSNEUCORCVSB-UHFFFAOYSA-N
MW424.90 g/mol
LogP2.97
Rot. Bonds5

About 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide

1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide (PubChem CID 35367747) has the molecular formula C20H21ClN8O and a molecular weight of 424.90 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide
PubChem CID35367747
Molecular FormulaC20H21ClN8O
Molecular Weight424.90 g/mol
Exact Mass424.15
IUPAC Name1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C20H21ClN8O/c21-17-6-7-18(24-23-17)28-10-8-13(9-11-28)20(30)22-15-3-1-2-14(12-15)19-25-26-27-29(19)16-4-5-16/h1-3,6-7,12-13,16H,4-5,8-11H2,(H,22,30)
InChIKeyPAQSNEUCORCVSB-UHFFFAOYSA-N
XLogP2.97
TPSA101.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.90
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclopentane-1-carboxamide
CID 119699623
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699668
N-(3-chloro-4-methylphenyl)-1-(6-chloropyridazin-3-yl)piperidine-4-carboxamide
CID 46568702
1-(6-chloropyridazin-3-yl)-N-[3-(cyclopropylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 35367631
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]cyclohexane-1-carboxamide
CID 119699629
3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
(2S)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 119276607
1-cycloheptyl-3-[3-(1-cyclopropyltetrazol-5-yl)phenyl]urea
CID 51115307
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
CID 119276593
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxamide
CID 42934236

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide (CID 35367747) is 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(-c2nnnn2C2CC2)c1)C1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide?
The InChIKey is PAQSNEUCORCVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN8O/c21-17-6-7-18(24-23-17)28-10-8-13(9-11-28)20(30)22-15-3-1-2-14(12-15)19-25-26-27-29(19)16-4-5-16/h1-3,6-7,12-13,16H,4-5,8-11H2,(H,22,30).
What are the key properties of 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide?
1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide has a molecular weight of 424.90 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 35367747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).