2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide

C21H27N5O3 — CID 175704360

IUPAC2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)(c1ccc(OCC2CC2)cn1)N1CCC[C@@H](c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C21H27N5O3/c1-21(20(22)28,18-8-6-16(11-23-18)29-13-14-4-5-14)26-10-2-3-15(12-26)17-7-9-19(27)25-24-17/h6-9,11,14-15H,2-5,10,12-13H2,1H3,(H2,22,28)(H,25,27)/t15-,21?/m1/s1
InChIKeySWEKJUSOWRKDDT-RBFZIWAESA-N
MW397.48 g/mol
LogP1.53
Rot. Bonds7

About 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide

2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide (PubChem CID 175704360) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
PubChem CID175704360
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide
SMILESCC(C(N)=O)(c1ccc(OCC2CC2)cn1)N1CCC[C@@H](c2ccc(=O)[nH]n2)C1
InChIInChI=1S/C21H27N5O3/c1-21(20(22)28,18-8-6-16(11-23-18)29-13-14-4-5-14)26-10-2-3-15(12-26)17-7-9-19(27)25-24-17/h6-9,11,14-15H,2-5,10,12-13H2,1H3,(H2,22,28)(H,25,27)/t15-,21?/m1/s1
InChIKeySWEKJUSOWRKDDT-RBFZIWAESA-N
XLogP1.53
TPSA114.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide with MolForge

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Related Compounds

2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-3-[6-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 175704327
2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-4,4-difluoro-3-(6-oxo-1H-pyrazin-3-yl)piperidin-1-yl]propanamide
CID 175704330
4-oxo-4-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]butanamide
CID 155790566
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 164584665
3-[3-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]-3-oxopropyl]-1H-pyridazin-6-one
CID 70770751
5-(cyclopentylmethoxy)pyridine-2-carboxylic acid
CID 79794070
(4aS)-6-[4-[[6-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidine-1-carbonyl]-4,4a,5,7,8,8a-hexahydropyrido[4,3-b][1,4]oxazin-3-one
CID 153259398
5-[[(3R)-1-cyclopropylsulfonylpiperidin-3-yl]methoxy]-2-(1H-pyrazol-5-yl)pyridine
CID 155790573
3-[2-chloro-3-[4-[5-(cyclopropylmethoxy)-2-pyridinyl]-6-oxo-1H-pyrimidin-2-yl]-4-fluorophenyl]-2,2-dimethylpropanamide
CID 175218041
N-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]acetamide
CID 155790759
methyl-[3-oxo-3-[(3R)-3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]piperidin-1-yl]propyl]carbamic acid
CID 137364365
2-(4-methoxyphenyl)-1-[3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]ethanone
CID 110118665

Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide?
The IUPAC name of 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide (CID 175704360) is 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide?
The canonical SMILES for 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide is CC(C(N)=O)(c1ccc(OCC2CC2)cn1)N1CCC[C@@H](c2ccc(=O)[nH]n2)C1.
What is the InChIKey of 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide?
The InChIKey is SWEKJUSOWRKDDT-RBFZIWAESA-N. The full InChI is InChI=1S/C21H27N5O3/c1-21(20(22)28,18-8-6-16(11-23-18)29-13-14-4-5-14)26-10-2-3-15(12-26)17-7-9-19(27)25-24-17/h6-9,11,14-15H,2-5,10,12-13H2,1H3,(H2,22,28)(H,25,27)/t15-,21?/m1/s1.
What are the key properties of 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide?
2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide has a molecular weight of 397.48 g/mol, XLogP of 1.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(6-oxo-1H-pyridazin-3-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 175704360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).