3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide

C18H25N5O2 — CID 110154304

IUPAC3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide
SMILESCc1cc(N2CCCC(O)(CNC(=O)CCN)C2)c2cnccc2n1
InChIInChI=1S/C18H25N5O2/c1-13-9-16(14-10-20-7-4-15(14)22-13)23-8-2-5-18(25,12-23)11-21-17(24)3-6-19/h4,7,9-10,25H,2-3,5-6,8,11-12,19H2,1H3,(H,21,24)
InChIKeyYYIVRPWIFGVORP-UHFFFAOYSA-N
MW343.43 g/mol
LogP0.73
Rot. Bonds5

About 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide

3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide (PubChem CID 110154304) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide
PubChem CID110154304
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide
SMILESCc1cc(N2CCCC(O)(CNC(=O)CCN)C2)c2cnccc2n1
InChIInChI=1S/C18H25N5O2/c1-13-9-16(14-10-20-7-4-15(14)22-13)23-8-2-5-18(25,12-23)11-21-17(24)3-6-19/h4,7,9-10,25H,2-3,5-6,8,11-12,19H2,1H3,(H,21,24)
InChIKeyYYIVRPWIFGVORP-UHFFFAOYSA-N
XLogP0.73
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide?
The IUPAC name of 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide (CID 110154304) is 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide?
The canonical SMILES for 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide is Cc1cc(N2CCCC(O)(CNC(=O)CCN)C2)c2cnccc2n1.
What is the InChIKey of 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide?
The InChIKey is YYIVRPWIFGVORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-13-9-16(14-10-20-7-4-15(14)22-13)23-8-2-5-18(25,12-23)11-21-17(24)3-6-19/h4,7,9-10,25H,2-3,5-6,8,11-12,19H2,1H3,(H,21,24).
What are the key properties of 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide?
3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide has a molecular weight of 343.43 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide is sourced from PubChem (CID 110154304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).