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

C19H27N5O2 — CID 125026317

IUPAC3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
SMILESCc1cc(N2CCC[C@](O)(CN(C)C(=O)CCN)C2)c2cnccc2n1
InChIInChI=1S/C19H27N5O2/c1-14-10-17(15-11-21-8-5-16(15)22-14)24-9-3-6-19(26,13-24)12-23(2)18(25)4-7-20/h5,8,10-11,26H,3-4,6-7,9,12-13,20H2,1-2H3/t19-/m0/s1
InChIKeyZSVVLHRFWXTING-IBGZPJMESA-N
MW357.46 g/mol
LogP1.08
Rot. Bonds5

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

3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide (PubChem CID 125026317) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
PubChem CID125026317
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide
SMILESCc1cc(N2CCC[C@](O)(CN(C)C(=O)CCN)C2)c2cnccc2n1
InChIInChI=1S/C19H27N5O2/c1-14-10-17(15-11-21-8-5-16(15)22-14)24-9-3-6-19(26,13-24)12-23(2)18(25)4-7-20/h5,8,10-11,26H,3-4,6-7,9,12-13,20H2,1-2H3/t19-/m0/s1
InChIKeyZSVVLHRFWXTING-IBGZPJMESA-N
XLogP1.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124943896
3-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]propanamide
CID 110154304
N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methyl-4-(2-propan-2-ylbenzimidazol-1-yl)butanamide
CID 124984500
4-amino-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 125020027
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 110153899
2-[1-[2-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 124940127
4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide
CID 110154305
4-[[(3S)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972772
4-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124972771
(2S)-2-amino-5-[[4-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-4-yl]methyl-methylamino]-5-oxopentanoic acid
CID 110154597
4-(2-aminoethoxy)-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110154270
4-(2-aminoethoxy)-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 124994678

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide?
The IUPAC name of 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide (CID 125026317) is 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide.
What is the SMILES notation for 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide?
The canonical SMILES for 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide is Cc1cc(N2CCC[C@](O)(CN(C)C(=O)CCN)C2)c2cnccc2n1.
What is the InChIKey of 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide?
The InChIKey is ZSVVLHRFWXTING-IBGZPJMESA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-10-17(15-11-21-8-5-16(15)22-14)24-9-3-6-19(26,13-24)12-23(2)18(25)4-7-20/h5,8,10-11,26H,3-4,6-7,9,12-13,20H2,1-2H3/t19-/m0/s1.
What are the key properties of 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide?
3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide has a molecular weight of 357.46 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[(3R)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylpropanamide is sourced from PubChem (CID 125026317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).