(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

C25H32F2N4O4 — CID 164734814

IUPAC(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
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(C(C)(C)O)c2)C1
InChIInChI=1S/C25H32F2N4O4/c1-15(22(32)30-21-7-6-18(12-28-21)35-14-16-4-5-16)31-9-8-25(26,27)20(13-31)17-10-19(24(2,3)34)23(33)29-11-17/h6-7,10-12,15-16,20,34H,4-5,8-9,13-14H2,1-3H3,(H,29,33)(H,28,30,32)/t15-,20+/m0/s1
InChIKeyTYDSBMYGBPKWQV-MGPUTAFESA-N
MW490.55 g/mol
LogP3.24
Rot. Bonds8

About (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

(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 (PubChem CID 164734814) has the molecular formula C25H32F2N4O4 and a molecular weight of 490.55 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164734814
Molecular FormulaC25H32F2N4O4
Molecular Weight490.55 g/mol
Exact Mass490.24
IUPAC Name(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
SMILESC[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(C(C)(C)O)c2)C1
InChIInChI=1S/C25H32F2N4O4/c1-15(22(32)30-21-7-6-18(12-28-21)35-14-16-4-5-16)31-9-8-25(26,27)20(13-31)17-10-19(24(2,3)34)23(33)29-11-17/h6-7,10-12,15-16,20,34H,4-5,8-9,13-14H2,1-3H3,(H,29,33)(H,28,30,32)/t15-,20+/m0/s1
InChIKeyTYDSBMYGBPKWQV-MGPUTAFESA-N
XLogP3.24
TPSA107.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.55
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C[C@@H](C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)[C@@H](c2c[nH]c(=O)c(C(C)(C)O)c2)C1.
What is the InChIKey of (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?
The InChIKey is TYDSBMYGBPKWQV-MGPUTAFESA-N. The full InChI is InChI=1S/C25H32F2N4O4/c1-15(22(32)30-21-7-6-18(12-28-21)35-14-16-4-5-16)31-9-8-25(26,27)20(13-31)17-10-19(24(2,3)34)23(33)29-11-17/h6-7,10-12,15-16,20,34H,4-5,8-9,13-14H2,1-3H3,(H,29,33)(H,28,30,32)/t15-,20+/m0/s1.
What are the key properties of (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?
(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 has a molecular weight of 490.55 g/mol, XLogP of 3.24, 8 rotatable bonds, 3 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-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide is sourced from PubChem (CID 164734814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).