4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide

C19H27N5O2 — CID 124984438

IUPAC4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide
SMILESCc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCN)C3)c2n1
InChIInChI=1S/C19H27N5O2/c1-14-5-6-15-18(22-14)16(7-10-21-15)24-11-8-19(26,13-24)12-23(2)17(25)4-3-9-20/h5-7,10,26H,3-4,8-9,11-13,20H2,1-2H3/t19-/m1/s1
InChIKeyNKRBGWKURKVDLU-LJQANCHMSA-N
MW357.46 g/mol
LogP1.08
Rot. Bonds6

About 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide

4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide (PubChem CID 124984438) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide
PubChem CID124984438
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide
SMILESCc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCN)C3)c2n1
InChIInChI=1S/C19H27N5O2/c1-14-5-6-15-18(22-14)16(7-10-21-15)24-11-8-19(26,13-24)12-23(2)17(25)4-3-9-20/h5-7,10,26H,3-4,8-9,11-13,20H2,1-2H3/t19-/m1/s1
InChIKeyNKRBGWKURKVDLU-LJQANCHMSA-N
XLogP1.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
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

5-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpentanamide
CID 125008096
3-(3-aminopropoxy)-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbenzamide
CID 110158915
4-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobut-2-enoic acid
CID 171146926
5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
CID 110153845
5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide
CID 110153944
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 110153899
4-amino-N-[[(3R)-3-hydroxy-1-(1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]-N-methylbutanamide
CID 125020027
4-[[(3R)-3-hydroxy-1-(1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl-methylamino]-4-oxobutanoic acid
CID 124954904
N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-3-[2-(methylamino)ethoxy]benzamide
CID 110155269
(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide
CID 110158369
5-[[(3R)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 125004730
4-(3-aminopropoxy)-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylbenzamide;dihydrochloride
CID 171688424

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide?
The IUPAC name of 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide (CID 124984438) is 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide.
What is the SMILES notation for 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide?
The canonical SMILES for 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide is Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCN)C3)c2n1.
What is the InChIKey of 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide?
The InChIKey is NKRBGWKURKVDLU-LJQANCHMSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-5-6-15-18(22-14)16(7-10-21-15)24-11-8-19(26,13-24)12-23(2)17(25)4-3-9-20/h5-7,10,26H,3-4,8-9,11-13,20H2,1-2H3/t19-/m1/s1.
What are the key properties of 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide?
4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide has a molecular weight of 357.46 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide is sourced from PubChem (CID 124984438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).