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

C19H27N5O2 — CID 164584667

IUPAC(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESCCCOc1ccc(NC(=O)[C@H](C)N2CCCC(c3ccn[nH]3)C2)nc1
InChIInChI=1S/C19H27N5O2/c1-3-11-26-16-6-7-18(20-12-16)22-19(25)14(2)24-10-4-5-15(13-24)17-8-9-21-23-17/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,21,23)(H,20,22,25)/t14-,15?/m0/s1
InChIKeyDGPCVCBFUWVEPM-MLCCFXAWSA-N
MW357.46 g/mol
LogP2.80
Rot. Bonds7

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

(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 164584667) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
PubChem CID164584667
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
SMILESCCCOc1ccc(NC(=O)[C@H](C)N2CCCC(c3ccn[nH]3)C2)nc1
InChIInChI=1S/C19H27N5O2/c1-3-11-26-16-6-7-18(20-12-16)22-19(25)14(2)24-10-4-5-15(13-24)17-8-9-21-23-17/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,21,23)(H,20,22,25)/t14-,15?/m0/s1
InChIKeyDGPCVCBFUWVEPM-MLCCFXAWSA-N
XLogP2.80
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-butoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide
CID 164584597
(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 (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide (CID 164584667) is (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is CCCOc1ccc(NC(=O)[C@H](C)N2CCCC(c3ccn[nH]3)C2)nc1.
What is the InChIKey of (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is DGPCVCBFUWVEPM-MLCCFXAWSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-3-11-26-16-6-7-18(20-12-16)22-19(25)14(2)24-10-4-5-15(13-24)17-8-9-21-23-17/h6-9,12,14-15H,3-5,10-11,13H2,1-2H3,(H,21,23)(H,20,22,25)/t14-,15?/m0/s1.
What are the key properties of (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide?
(2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 357.46 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-propoxy-2-pyridinyl)-2-[3-(1H-pyrazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164584667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).