N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide

C23H31N5O2 — CID 118521899

IUPACN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)cnn1
InChIInChI=1S/C23H31N5O2/c1-16-12-19(14-24-27-16)21(29)25-20-7-5-6-17(13-20)15-28-10-8-18(9-11-28)22(30)26-23(2,3)4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyXYISHABCMFQTMU-UHFFFAOYSA-N
MW409.53 g/mol
LogP3.16
Rot. Bonds5

About N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide

N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide (PubChem CID 118521899) has the molecular formula C23H31N5O2 and a molecular weight of 409.53 g/mol. Its IUPAC name is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide
PubChem CID118521899
Molecular FormulaC23H31N5O2
Molecular Weight409.53 g/mol
Exact Mass409.25
IUPAC NameN-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)cnn1
InChIInChI=1S/C23H31N5O2/c1-16-12-19(14-24-27-16)21(29)25-20-7-5-6-17(13-20)15-28-10-8-18(9-11-28)22(30)26-23(2,3)4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,25,29)(H,26,30)
InChIKeyXYISHABCMFQTMU-UHFFFAOYSA-N
XLogP3.16
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridin-3-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90456293
N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxopyridin-4-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 90456566
6-(2-fluoropropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridazine-4-carboxamide
CID 90456741
Tert-butyl 4-[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]-1-(3-methylphenyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16024212
5-methyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]-1H-pyrazole-4-carboxamide
CID 71937057
4-[[1-(1,5-dimethylpyrazole-4-carbonyl)-4-piperidyl]amino]-1H-quinolin-2-one
CID 90682476
N-[2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]pyridazine-3-carboxamide
CID 166633918
N-[3-[[4-(tert-butylcarbamoyl)-4-fluoropiperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
CID 72703019
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-methylpyridine-3-carboxamide
CID 72704646
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]pyridazine-3-carboxamide
CID 72705414
N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 117609849
3-Chloro-6-methyl-pyridazine-4-carboxylic acid [3-(4-tert-butylcarbamoyl-piperidin-1-ylmethyl)-phenyl]-amide
CID 118521865

Frequently Asked Questions

What is the IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide (CID 118521899) is N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(CN3CCC(C(=O)NC(C)(C)C)CC3)c2)cnn1.
What is the InChIKey of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide?
The InChIKey is XYISHABCMFQTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2/c1-16-12-19(14-24-27-16)21(29)25-20-7-5-6-17(13-20)15-28-10-8-18(9-11-28)22(30)26-23(2,3)4/h5-7,12-14,18H,8-11,15H2,1-4H3,(H,25,29)(H,26,30).
What are the key properties of N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide?
N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide has a molecular weight of 409.53 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[4-(tert-butylcarbamoyl)piperidin-1-yl]methyl]phenyl]-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 118521899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).