N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide

C20H29N5O2 — CID 164584597

IUPACN-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESCCCCOc1ccc(NC(=O)C(C)N2CCCC(c3ccn[nH]3)C2)nc1
InChIInChI=1S/C20H29N5O2/c1-3-4-12-27-17-7-8-19(21-13-17)23-20(26)15(2)25-11-5-6-16(14-25)18-9-10-22-24-18/h7-10,13,15-16H,3-6,11-12,14H2,1-2H3,(H,22,24)(H,21,23,26)
InChIKeyGTGUDFVOZWLWHE-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.19
Rot. Bonds8

About N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide

N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 164584597) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound NameN-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
PubChem CID164584597
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC NameN-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESCCCCOc1ccc(NC(=O)C(C)N2CCCC(c3ccn[nH]3)C2)nc1
InChIInChI=1S/C20H29N5O2/c1-3-4-12-27-17-7-8-19(21-13-17)23-20(26)15(2)25-11-5-6-16(14-25)18-9-10-22-24-18/h7-10,13,15-16H,3-6,11-12,14H2,1-2H3,(H,22,24)(H,21,23,26)
InChIKeyGTGUDFVOZWLWHE-UHFFFAOYSA-N
XLogP3.19
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584667
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760283
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]propanamide
CID 164584521
(2R)-N-(2-propan-2-ylpyrazol-3-yl)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 100836726
(2S)-N-(5-chloro-2-pyridinyl)-2-[4-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 94799522
2-[[(2R)-2-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanoyl]amino]thiophene-3-carboxamide
CID 100836744
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3R,5R)-3-methyl-5-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584542
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 164584665
(2S)-N-(3-cyano-4,5-dimethylfuran-2-yl)-2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 95760322
(2S)-2-[(3S)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide;(2R)-2-[(3R)-3-(5-ethylsulfonyl-6-oxo-1H-pyridin-3-yl)piperidin-1-yl]-N-[5-(4-fluorophenoxy)-2-pyridinyl]propanamide
CID 165089791
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
CID 164584495
(2S)-N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1-oxidopyridin-1-ium-4-yl)piperidin-1-yl]propanamide
CID 164734825

Frequently Asked Questions

What is the IUPAC name of N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (CID 164584597) is N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is CCCCOc1ccc(NC(=O)C(C)N2CCCC(c3ccn[nH]3)C2)nc1.
What is the InChIKey of N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is GTGUDFVOZWLWHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-3-4-12-27-17-7-8-19(21-13-17)23-20(26)15(2)25-11-5-6-16(14-25)18-9-10-22-24-18/h7-10,13,15-16H,3-6,11-12,14H2,1-2H3,(H,22,24)(H,21,23,26).
What are the key properties of N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 371.49 g/mol, XLogP of 3.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164584597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).