(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone

C13H18N4O — CID 73439193

IUPAC(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1nc2c(cc1C(=O)N1CCCC1)CNCC2
InChIInChI=1S/C13H18N4O/c14-12-10(13(18)17-5-1-2-6-17)7-9-8-15-4-3-11(9)16-12/h7,15H,1-6,8H2,(H2,14,16)
InChIKeyYIMKLMHFTLRVER-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.55
Rot. Bonds1

About (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone

(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 73439193) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID73439193
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone
SMILESNc1nc2c(cc1C(=O)N1CCCC1)CNCC2
InChIInChI=1S/C13H18N4O/c14-12-10(13(18)17-5-1-2-6-17)7-9-8-15-4-3-11(9)16-12/h7,15H,1-6,8H2,(H2,14,16)
InChIKeyYIMKLMHFTLRVER-UHFFFAOYSA-N
XLogP0.55
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105444993
(2-amino-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 83571186
[2-amino-6-(1,5-dimethylpyrazol-4-yl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridin-3-yl]-pyrrolidin-1-ylmethanone
CID 110085394
2-amino-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 5149881
azepan-1-yl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 104557845
1-(2-chloro-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)ethanone
CID 105464586
2-amino-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 83568678
1,2,3,4,6,7,8,9-octahydrobenzo[b][1,6]naphthyridine
CID 13193877
(5-amino-1-methylpyrazol-4-yl)-(azocan-1-yl)methanone
CID 115330379
3-morpholin-4-yl-5,6,7,8-tetrahydro-1,6-naphthyridine-2-carboxylic acid
CID 175591711
methyl 2-propyl-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carboxylate
CID 141442013
(2-amino-5-nitro-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 13063489

Frequently Asked Questions

What is the IUPAC name of (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone (CID 73439193) is (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone is Nc1nc2c(cc1C(=O)N1CCCC1)CNCC2.
What is the InChIKey of (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is YIMKLMHFTLRVER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c14-12-10(13(18)17-5-1-2-6-17)7-9-8-15-4-3-11(9)16-12/h7,15H,1-6,8H2,(H2,14,16).
What are the key properties of (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone?
(2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 246.31 g/mol, XLogP of 0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5,6,7,8-tetrahydro-1,6-naphthyridin-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 73439193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).