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

C25H32F2N4O4 — CID 163238185

IUPACN-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)C(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)
InChIKeyTYDSBMYGBPKWQV-UHFFFAOYSA-N
MW490.55 g/mol
LogP3.24
Rot. Bonds8

About 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

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 (PubChem CID 163238185) has the molecular formula C25H32F2N4O4 and a molecular weight of 490.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
PubChem CID163238185
Molecular FormulaC25H32F2N4O4
Molecular Weight490.55 g/mol
Exact Mass490.24
IUPAC NameN-[5-(cyclopropylmethoxy)-2-pyridinyl]-2-[4,4-difluoro-3-[5-(2-hydroxypropan-2-yl)-6-oxo-1H-pyridin-3-yl]piperidin-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)C(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)
InChIKeyTYDSBMYGBPKWQV-UHFFFAOYSA-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 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C(=O)Nc1ccc(OCC2CC2)cn1)N1CCC(F)(F)C(c2c[nH]c(=O)c(C(C)(C)O)c2)C1.
What is the InChIKey of 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?
The InChIKey is TYDSBMYGBPKWQV-UHFFFAOYSA-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).
What are the key properties of 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?
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 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 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 is sourced from PubChem (CID 163238185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).