N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide

C23H25N5O2 — CID 131943176

IUPACN-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide
SMILESCn1c(C(=O)N2CCCC(CNC(=O)c3ccnnc3)C2)ccc1-c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-27-20(18-7-3-2-4-8-18)9-10-21(27)23(30)28-13-5-6-17(16-28)14-24-22(29)19-11-12-25-26-15-19/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,24,29)
InChIKeySJXRNLZCVXJNIQ-UHFFFAOYSA-N
MW403.49 g/mol
LogP2.76
Rot. Bonds5

About N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide

N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide (PubChem CID 131943176) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide
PubChem CID131943176
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide
SMILESCn1c(C(=O)N2CCCC(CNC(=O)c3ccnnc3)C2)ccc1-c1ccccc1
InChIInChI=1S/C23H25N5O2/c1-27-20(18-7-3-2-4-8-18)9-10-21(27)23(30)28-13-5-6-17(16-28)14-24-22(29)19-11-12-25-26-15-19/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,24,29)
InChIKeySJXRNLZCVXJNIQ-UHFFFAOYSA-N
XLogP2.76
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-(methylaminomethyl)piperidin-1-yl]-(1-methyl-5-phenylpyrrol-2-yl)methanone
CID 124684688
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
N-[[1-(2-methylsulfanylbenzoyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45224813
[3-(bromomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104672520
N-[[1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 45226176
N-[[(3R)-1-(1H-indole-5-carbonyl)piperidin-3-yl]methyl]-4-phenylbenzamide
CID 42514413
benzyl 4-[(pyridazine-4-carbonylamino)methyl]piperidine-1-carboxylate
CID 58933452
1-[2-[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 72901999
N-[[1-[(3-chloro-2-methylphenyl)carbamoyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 45231575
2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813559
[3-(methylaminomethyl)piperidin-1-yl]-pyridin-4-ylmethanone
CID 61204344
5-[3-[(2-methylpropanoylamino)methyl]piperidine-1-carbonyl]pyridine-2-carboxylic acid
CID 120515700

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide?
The IUPAC name of N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide (CID 131943176) is N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide.
What is the SMILES notation for N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide?
The canonical SMILES for N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide is Cn1c(C(=O)N2CCCC(CNC(=O)c3ccnnc3)C2)ccc1-c1ccccc1.
What is the InChIKey of N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide?
The InChIKey is SJXRNLZCVXJNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-27-20(18-7-3-2-4-8-18)9-10-21(27)23(30)28-13-5-6-17(16-28)14-24-22(29)19-11-12-25-26-15-19/h2-4,7-12,15,17H,5-6,13-14,16H2,1H3,(H,24,29).
What are the key properties of N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide?
N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide has a molecular weight of 403.49 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-methyl-5-phenylpyrrole-2-carbonyl)piperidin-3-yl]methyl]pyridazine-4-carboxamide is sourced from PubChem (CID 131943176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).