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

C19H27N5O2 — CID 110153845

IUPAC5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCc1ccc2nccc(N3CCC(O)(CNC(=O)CCCCN)C3)c2n1
InChIInChI=1S/C19H27N5O2/c1-14-5-6-15-18(23-14)16(7-10-21-15)24-11-8-19(26,13-24)12-22-17(25)4-2-3-9-20/h5-7,10,26H,2-4,8-9,11-13,20H2,1H3,(H,22,25)
InChIKeyIMFRAJOHKNWDIT-UHFFFAOYSA-N
MW357.46 g/mol
LogP1.12
Rot. Bonds7

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

5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide (PubChem CID 110153845) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide.

Molecular Properties

Compound Name5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
PubChem CID110153845
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Name5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide
SMILESCc1ccc2nccc(N3CCC(O)(CNC(=O)CCCCN)C3)c2n1
InChIInChI=1S/C19H27N5O2/c1-14-5-6-15-18(23-14)16(7-10-21-15)24-11-8-19(26,13-24)12-22-17(25)4-2-3-9-20/h5-7,10,26H,2-4,8-9,11-13,20H2,1H3,(H,22,25)
InChIKeyIMFRAJOHKNWDIT-UHFFFAOYSA-N
XLogP1.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
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

Computed Properties (RDKit)

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

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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
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-amino-N-[[(3S)-3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methylbutanamide
CID 124984438
4-amino-N-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]butanamide
CID 110153839
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
4-amino-N-[[3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)piperidin-3-yl]methyl]butanamide
CID 110154305
5-[[(3S)-3-hydroxy-1-(2-methyl-1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-5-oxopentanoic acid
CID 125017134
4-[[3-hydroxy-1-(1,6-naphthyridin-4-yl)pyrrolidin-3-yl]methylamino]-4-oxobutanoic acid
CID 110153849
N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]-N-methyl-3-[2-(methylamino)ethoxy]benzamide
CID 110155269
5-amino-N-[[4-hydroxy-1-(1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylpentanamide
CID 110153944
(2S)-6-acetamido-2-amino-N-[[4-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)piperidin-4-yl]methyl]-N-methylhexanamide
CID 110158369

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide?
The IUPAC name of 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide (CID 110153845) is 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide.
What is the SMILES notation for 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide?
The canonical SMILES for 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide is Cc1ccc2nccc(N3CCC(O)(CNC(=O)CCCCN)C3)c2n1.
What is the InChIKey of 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide?
The InChIKey is IMFRAJOHKNWDIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-14-5-6-15-18(23-14)16(7-10-21-15)24-11-8-19(26,13-24)12-22-17(25)4-2-3-9-20/h5-7,10,26H,2-4,8-9,11-13,20H2,1H3,(H,22,25).
What are the key properties of 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide?
5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide has a molecular weight of 357.46 g/mol, XLogP of 1.12, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[[3-hydroxy-1-(6-methyl-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]methyl]pentanamide is sourced from PubChem (CID 110153845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).