4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile

C17H21N5O2 — CID 68555569

IUPAC4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile
SMILESCn1c(=O)ccc2ncc(C#N)c(CCN3CC(O)C(CN)C3)c21
InChIInChI=1S/C17H21N5O2/c1-21-16(24)3-2-14-17(21)13(11(6-18)8-20-14)4-5-22-9-12(7-19)15(23)10-22/h2-3,8,12,15,23H,4-5,7,9-10,19H2,1H3
InChIKeyUOYQRIUBELLQGM-UHFFFAOYSA-N
MW327.39 g/mol
LogP-0.40
Rot. Bonds4

About 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile

4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile (PubChem CID 68555569) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile
PubChem CID68555569
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile
SMILESCn1c(=O)ccc2ncc(C#N)c(CCN3CC(O)C(CN)C3)c21
InChIInChI=1S/C17H21N5O2/c1-21-16(24)3-2-14-17(21)13(11(6-18)8-20-14)4-5-22-9-12(7-19)15(23)10-22/h2-3,8,12,15,23H,4-5,7,9-10,19H2,1H3
InChIKeyUOYQRIUBELLQGM-UHFFFAOYSA-N
XLogP-0.40
TPSA108.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

tert-butyl N-[[(3S,4R)-1-[(5-fluoro-11-oxo-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-3-yl)methyl]-4-hydroxypiperidin-3-yl]methyl]carbamate
CID 57707456
3-[[(3R,4S)-4-amino-3-methoxypiperidin-1-yl]methyl]-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 57707470
3-[[(2S)-2-(aminomethyl)morpholin-4-yl]methyl]-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 57707476
3-[[(3S,4R)-3-(aminomethyl)-4-hydroxypiperidin-1-yl]methyl]-5-fluoro-1,7-diazatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 57707491
4-{[cis-3-(aminomethyl)-4-hydroxy-1-piperidinyl]methyl}-3-fluoro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
CID 68684423
Racemic 4-{[(3S,4R)-4-amino-3-hydroxy-1-piperidinyl]methyl}-3-fluoro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
CID 68684481
4-{[(3R,4S)-4-amino-3-hydroxy-1-piperidinyl]methyl}-3-fluoro-4,5-dihydro-7H-pyrrolo[3,2,1-de]-1,5-naphthyridin-7-one
CID 68686175
6-{[(3S,4S)-3-(Aminomethyl)-4-hydroxy-1-pyrrolidinyl]methyl}-3-fluoro-5,6-dihydro-4H,8H-pyrido[3,2,1-de]-1,5-naphthyridin-8-one
CID 68709206
[(3S,4S)-1-[(8-fluoro-2-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-12-yl)methyl]-4-hydroxypyrrolidin-3-yl]methylcarbamic acid
CID 68714003
1-{2-[(3S,4S)-3-(aminomethyl)-4-hydroxy-1-pyrrolidinyl]ethyl}-7-fluoro-1,5-naphthyridin-2(1H)-one
CID 68809816
[(3S,4S)-1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]-4-hydroxypyrrolidin-3-yl]methylcarbamic acid
CID 68816839
tert-butyl N-[[(3S,4S)-1-[(8-fluoro-2-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-12-yl)methyl]-4-hydroxypyrrolidin-3-yl]methyl]carbamate
CID 69089674

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile?
The IUPAC name of 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile (CID 68555569) is 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile is Cn1c(=O)ccc2ncc(C#N)c(CCN3CC(O)C(CN)C3)c21.
What is the InChIKey of 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile?
The InChIKey is UOYQRIUBELLQGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-16(24)3-2-14-17(21)13(11(6-18)8-20-14)4-5-22-9-12(7-19)15(23)10-22/h2-3,8,12,15,23H,4-5,7,9-10,19H2,1H3.
What are the key properties of 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile?
4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(aminomethyl)-4-hydroxypyrrolidin-1-yl]ethyl]-5-methyl-6-oxo-1,5-naphthyridine-3-carbonitrile is sourced from PubChem (CID 68555569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).