(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

C18H25ClN6O — CID 97278500

IUPAC(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)NC1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C18H25ClN6O/c1-12(2)17-20-8-11-25(17)13(3)18(26)21-14-6-9-24(10-7-14)16-5-4-15(19)22-23-16/h4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,21,26)/t13-/m1/s1
InChIKeyDQEYNGGQMAIJIV-CYBMUJFWSA-N
MW376.89 g/mol
LogP2.80
Rot. Bonds5

About (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide

(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (PubChem CID 97278500) has the molecular formula C18H25ClN6O and a molecular weight of 376.89 g/mol. Its IUPAC name is (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
PubChem CID97278500
Molecular FormulaC18H25ClN6O
Molecular Weight376.89 g/mol
Exact Mass376.18
IUPAC Name(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide
SMILESCC(C)c1nccn1[C@H](C)C(=O)NC1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C18H25ClN6O/c1-12(2)17-20-8-11-25(17)13(3)18(26)21-14-6-9-24(10-7-14)16-5-4-15(19)22-23-16/h4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,21,26)/t13-/m1/s1
InChIKeyDQEYNGGQMAIJIV-CYBMUJFWSA-N
XLogP2.80
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.89
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(1-methylsulfonylpiperidin-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97277858
(2S)-N-(oxan-4-yl)-2-(2-propan-2-ylimidazol-1-yl)propanamide
CID 97191226
ethyl N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamate
CID 15124700
(2R)-2-(2-propan-2-ylimidazol-1-yl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]propanamide
CID 97277644
CID 59303878
CID 59303878
1-(6-chloropyridazin-3-yl)-N-[(2R)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 100906673
tert-butyl N-piperidin-4-ylcarbamate;[1-(6-chloropyridazin-3-yl)piperidin-4-yl]carbamic acid
CID 87793274
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2S)-oxolan-2-yl]thiophene-2-carboxamide
CID 97151424
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-5-[(2R)-oxolan-2-yl]thiophene-2-carboxamide
CID 97151425
N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-1-cyclopropyl-5-oxopyrrolidine-3-carboxamide
CID 72910701
(2S)-2-(2-propan-2-ylimidazol-1-yl)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 97190344
1-(6-chloropyridazin-3-yl)azepan-4-ol
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide (CID 97278500) is (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is CC(C)c1nccn1[C@H](C)C(=O)NC1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
The InChIKey is DQEYNGGQMAIJIV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H25ClN6O/c1-12(2)17-20-8-11-25(17)13(3)18(26)21-14-6-9-24(10-7-14)16-5-4-15(19)22-23-16/h4-5,8,11-14H,6-7,9-10H2,1-3H3,(H,21,26)/t13-/m1/s1.
What are the key properties of (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide?
(2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide has a molecular weight of 376.89 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[1-(6-chloropyridazin-3-yl)piperidin-4-yl]-2-(2-propan-2-ylimidazol-1-yl)propanamide is sourced from PubChem (CID 97278500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).