N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide

C16H16N4O — CID 22149343

IUPACN-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
SMILESN/C(=N\C(=O)c1cccnc1)N1CCCc2ccccc21
InChIInChI=1S/C16H16N4O/c17-16(19-15(21)13-6-3-9-18-11-13)20-10-4-7-12-5-1-2-8-14(12)20/h1-3,5-6,8-9,11H,4,7,10H2,(H2,17,19,21)
InChIKeyTWFFNXGYWAQZAI-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.99
Rot. Bonds1

About N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide

N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide (PubChem CID 22149343) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
PubChem CID22149343
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide
SMILESN/C(=N\C(=O)c1cccnc1)N1CCCc2ccccc21
InChIInChI=1S/C16H16N4O/c17-16(19-15(21)13-6-3-9-18-11-13)20-10-4-7-12-5-1-2-8-14(12)20/h1-3,5-6,8-9,11H,4,7,10H2,(H2,17,19,21)
InChIKeyTWFFNXGYWAQZAI-UHFFFAOYSA-N
XLogP1.99
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] pyridine-3-carboxylate
CID 9413223
N-[amino(2,3-dihydroindol-1-yl)methylidene]-4-methylbenzamide
CID 11780892
N'-pyrimidin-2-yl-3,4-dihydro-2H-quinoline-1-carboximidamide
CID 17036150
3,4-dihydro-2H-quinolin-1-yl-(4-pyridin-3-ylpiperidin-1-yl)methanone
CID 24896014
N-pyridin-3-yl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 166316460
(4-chloro-3-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81226103
N-[amino(2,3-dihydroindol-1-yl)methylidene]thiophene-2-carboxamide
CID 22149279
N'-[2-(3,4-dihydro-2H-quinolin-1-yl)acetyl]pyridine-3-carbohydrazide
CID 51109543
1-[1-(pyridine-3-carbonyl)-3,4-dihydro-2H-quinolin-6-yl]ethanone
CID 110737710
4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxo-N-(pyridin-3-ylmethylideneamino)butanamide
CID 5209307
3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropanethioamide
CID 43120466
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117

Frequently Asked Questions

What is the IUPAC name of N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide?
The IUPAC name of N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide (CID 22149343) is N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide.
What is the SMILES notation for N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide?
The canonical SMILES for N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide is N/C(=N\C(=O)c1cccnc1)N1CCCc2ccccc21.
What is the InChIKey of N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide?
The InChIKey is TWFFNXGYWAQZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-16(19-15(21)13-6-3-9-18-11-13)20-10-4-7-12-5-1-2-8-14(12)20/h1-3,5-6,8-9,11H,4,7,10H2,(H2,17,19,21).
What are the key properties of N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide?
N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[amino(3,4-dihydro-2H-quinolin-1-yl)methylidene]pyridine-3-carboxamide is sourced from PubChem (CID 22149343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).