N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide

C22H26N4O3 — CID 169114933

IUPACN-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3c2CO[C@H]3C)C1
InChIInChI=1S/C22H26N4O3/c1-13-8-9-18(15-6-4-3-5-7-15)26(11-13)22(28)21(27)25-17-10-24-20(23)19-14(2)29-12-16(17)19/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H2,23,24)(H,25,27)/t13-,14-,18+/m0/s1
InChIKeyVKXYRIORIGNAKS-SUNYJGFJSA-N
MW394.48 g/mol
LogP3.19
Rot. Bonds2

About N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide

N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114933) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169114933
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide
SMILESC[C@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3c2CO[C@H]3C)C1
InChIInChI=1S/C22H26N4O3/c1-13-8-9-18(15-6-4-3-5-7-15)26(11-13)22(28)21(27)25-17-10-24-20(23)19-14(2)29-12-16(17)19/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H2,23,24)(H,25,27)/t13-,14-,18+/m0/s1
InChIKeyVKXYRIORIGNAKS-SUNYJGFJSA-N
XLogP3.19
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide (CID 169114933) is N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide is C[C@H]1CC[C@H](c2ccccc2)N(C(=O)C(=O)Nc2cnc(N)c3c2CO[C@H]3C)C1.
What is the InChIKey of N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is VKXYRIORIGNAKS-SUNYJGFJSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13-8-9-18(15-6-4-3-5-7-15)26(11-13)22(28)21(27)25-17-10-24-20(23)19-14(2)29-12-16(17)19/h3-7,10,13-14,18H,8-9,11-12H2,1-2H3,(H2,23,24)(H,25,27)/t13-,14-,18+/m0/s1.
What are the key properties of N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide?
N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 394.48 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-4-amino-3-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl]-2-[(2R,5S)-5-methyl-2-phenylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).