(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide

C19H24F2N6O2 — CID 164584495

IUPAC(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C19H24F2N6O2/c1-12(27-7-6-19(20,21)15(9-27)17-23-11-24-26-17)18(28)25-16-5-4-14(8-22-16)29-10-13-2-3-13/h4-5,8,11-13,15H,2-3,6-7,9-10H2,1H3,(H,22,25,28)(H,23,24,26)/t12-,15-/m0/s1
InChIKeyYBDMOQHQNKXSOX-WFASDCNBSA-N
MW406.44 g/mol
LogP2.44
Rot. Bonds7

About (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide

(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide (PubChem CID 164584495) has the molecular formula C19H24F2N6O2 and a molecular weight of 406.44 g/mol. Its IUPAC name is (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
PubChem CID164584495
Molecular FormulaC19H24F2N6O2
Molecular Weight406.44 g/mol
Exact Mass406.19
IUPAC Name(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@H](c2ncn[nH]2)C1
InChIInChI=1S/C19H24F2N6O2/c1-12(27-7-6-19(20,21)15(9-27)17-23-11-24-26-17)18(28)25-16-5-4-14(8-22-16)29-10-13-2-3-13/h4-5,8,11-13,15H,2-3,6-7,9-10H2,1H3,(H,22,25,28)(H,23,24,26)/t12-,15-/m0/s1
InChIKeyYBDMOQHQNKXSOX-WFASDCNBSA-N
XLogP2.44
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 164734814
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
CID 163238185
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-yl]propanamide
CID 164584665
N-[5-(2,2-difluoroethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174230866
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 174231004
N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-methyl-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734906
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[(3S)-4,4-difluoro-3-(6-oxo-1H-pyridin-3-yl)piperidin-1-yl]propanamide
CID 164734757
(2S)-2-[(3S)-3-(5-amino-6-oxo-1H-pyridin-3-yl)-4,4-difluoropiperidin-1-yl]-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
CID 163237724
2-[(3R)-3-(5-amino-6-oxo-1H-pyrazin-3-yl)-4,4-difluoropiperidin-1-yl]-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
CID 174231161
2-bromo-N-[5-(cyclopropylmethoxy)-2-pyridinyl]propanamide
CID 163238031
2-[3-[5-(aminomethyl)-6-oxo-1H-pyridin-3-yl]-4,4-difluoropiperidin-1-yl]-N-[6-(cyclopropylmethoxy)pyridazin-3-yl]propanamide
CID 174231202
N-[6-(cyclopropylmethoxy)pyridazin-3-yl]-2-[4,4-difluoro-3-[6-oxo-1-(1,2,2-trifluoroethyl)-3-pyridinyl]piperidin-1-yl]propanamide
CID 175468538

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide?
The IUPAC name of (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) is (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide?
The canonical SMILES for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide is C[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@H](c2ncn[nH]2)C1.
What is the InChIKey of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide?
The InChIKey is YBDMOQHQNKXSOX-WFASDCNBSA-N. The full InChI is InChI=1S/C19H24F2N6O2/c1-12(27-7-6-19(20,21)15(9-27)17-23-11-24-26-17)18(28)25-16-5-4-14(8-22-16)29-10-13-2-3-13/h4-5,8,11-13,15H,2-3,6-7,9-10H2,1H3,(H,22,25,28)(H,23,24,26)/t12-,15-/m0/s1.
What are the key properties of (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide?
(2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide has a molecular weight of 406.44 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[(3S)-4,4-difluoro-3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]propanamide is sourced from PubChem (CID 164584495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).