1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide

C14H22N4O — CID 82521884

IUPAC1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(n(C(C)CC)c1=O)CCN(C)C2
InChIInChI=1S/C14H22N4O/c1-4-9(2)18-12-5-6-17(3)8-10(12)7-11(13(15)16)14(18)19/h7,9H,4-6,8H2,1-3H3,(H3,15,16)
InChIKeyPZWZJMCCHXJVBS-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.09
Rot. Bonds3

About 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide

1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide (PubChem CID 82521884) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide.

Molecular Properties

Compound Name1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
PubChem CID82521884
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(n(C(C)CC)c1=O)CCN(C)C2
InChIInChI=1S/C14H22N4O/c1-4-9(2)18-12-5-6-17(3)8-10(12)7-11(13(15)16)14(18)19/h7,9H,4-6,8H2,1-3H3,(H3,15,16)
InChIKeyPZWZJMCCHXJVBS-UHFFFAOYSA-N
XLogP1.09
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide
CID 82522028
1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521892
3-acetyl-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521987
6-methyl-2-oxo-1-propyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylic acid
CID 82522043
1-butan-2-yl-6-ethyl-3-(2-hydroxypropan-2-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521486
1-(2-methoxyethyl)-2-oxo-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboximidamide
CID 82522799
3-(1-aminoethyl)-6-methyl-1-(3-methylbutyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521829
(E)-3-(6-methyl-2-oxo-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-3-yl)prop-2-enoic acid
CID 82521986
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
3-(aminomethyl)-6-methyl-1-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189156
1-butan-2-yl-3-methylpyrazole-4-carboximidamide
CID 112712318
3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522000

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide?
The IUPAC name of 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide (CID 82521884) is 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide.
What is the SMILES notation for 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide?
The canonical SMILES for 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide is [H]/N=C(\N)c1cc2c(n(C(C)CC)c1=O)CCN(C)C2.
What is the InChIKey of 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide?
The InChIKey is PZWZJMCCHXJVBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-4-9(2)18-12-5-6-17(3)8-10(12)7-11(13(15)16)14(18)19/h7,9H,4-6,8H2,1-3H3,(H3,15,16).
What are the key properties of 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide?
1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide has a molecular weight of 262.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-methyl-2-oxo-7,8-dihydro-5H-1,6-naphthyridine-3-carboximidamide is sourced from PubChem (CID 82521884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).