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

C19H27N5O2 — CID 110154305

IUPAC4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide
SMILESCc1cc(N2CCCC(O)(CNC(=O)CCCN)C2)c2cnccc2n1
InChIInChI=1S/C19H27N5O2/c1-14-10-17(15-11-21-8-5-16(15)23-14)24-9-3-6-19(26,13-24)12-22-18(25)4-2-7-20/h5,8,10-11,26H,2-4,6-7,9,12-13,20H2,1H3,(H,22,25)
InChIKeyYURANJSIHNYTPO-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.12
Rot. Bonds6

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

4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide (PubChem CID 110154305) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide
PubChem CID110154305
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide
SMILESCc1cc(N2CCCC(O)(CNC(=O)CCCN)C2)c2cnccc2n1
InChIInChI=1S/C19H27N5O2/c1-14-10-17(15-11-21-8-5-16(15)23-14)24-9-3-6-19(26,13-24)12-22-18(25)4-2-7-20/h5,8,10-11,26H,2-4,6-7,9,12-13,20H2,1H3,(H,22,25)
InChIKeyYURANJSIHNYTPO-UHFFFAOYSA-N
XLogP1.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide?
The IUPAC name of 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide (CID 110154305) is 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide.
What is the SMILES notation for 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide?
The canonical SMILES for 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide is Cc1cc(N2CCCC(O)(CNC(=O)CCCN)C2)c2cnccc2n1.
What is the InChIKey of 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide?
The InChIKey is YURANJSIHNYTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-10-17(15-11-21-8-5-16(15)23-14)24-9-3-6-19(26,13-24)12-22-18(25)4-2-7-20/h5,8,10-11,26H,2-4,6-7,9,12-13,20H2,1H3,(H,22,25).
What are the key properties of 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide?
4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide has a molecular weight of 357.46 g/mol, XLogP of 1.12, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide is sourced from PubChem (CID 110154305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).