4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

C20H18F3N7O — CID 145025471

IUPAC4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESN#CC(=CN)/C=N/c1cc(C(N)=O)nc2c1CCN(Cc1ccnc(C(F)(F)F)c1)C2
InChIInChI=1S/C20H18F3N7O/c21-20(22,23)18-5-12(1-3-27-18)10-30-4-2-14-15(28-9-13(7-24)8-25)6-16(19(26)31)29-17(14)11-30/h1,3,5-7,9H,2,4,10-11,24H2,(H2,26,31)/b13-7?,28-9+
InChIKeyJVHYDXZXWVKHTP-VPJYFINXSA-N
MW429.41 g/mol
LogP2.22
Rot. Bonds5

About 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide

4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (PubChem CID 145025471) has the molecular formula C20H18F3N7O and a molecular weight of 429.41 g/mol. Its IUPAC name is 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
PubChem CID145025471
Molecular FormulaC20H18F3N7O
Molecular Weight429.41 g/mol
Exact Mass429.15
IUPAC Name4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
SMILESN#CC(=CN)/C=N/c1cc(C(N)=O)nc2c1CCN(Cc1ccnc(C(F)(F)F)c1)C2
InChIInChI=1S/C20H18F3N7O/c21-20(22,23)18-5-12(1-3-27-18)10-30-4-2-14-15(28-9-13(7-24)8-25)6-16(19(26)31)29-17(14)11-30/h1,3,5-7,9H,2,4,10-11,24H2,(H2,26,31)/b13-7?,28-9+
InChIKeyJVHYDXZXWVKHTP-VPJYFINXSA-N
XLogP2.22
TPSA134.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[[2-[difluoro(phosphanyl)methyl]-4-pyridinyl]methyl]-4-[(2E,4E)-1-methyliminohexa-2,4-dien-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 145025444
4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911208
7-(pyridin-4-ylmethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxamide
CID 173153410
4-(4-fluorophenyl)-7-[(3-methylsulfinylphenyl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 154985629
7-[(3,5-dihydroxyphenyl)methyl]-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865224
3-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-one
CID 167873496
4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911297
7-[(3-tert-butyltriazol-4-yl)methyl]-4-(4-chloro-2,6-difluorophenyl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118913157
4-(4-chloro-2-fluorophenyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911031
N-(4-fluorophenyl)-2-[4-[[2-(trifluoromethyl)-4-pyridinyl]methyl]piperazin-1-yl]acetamide
CID 171337884
5-ethyl-1-[[2-(trifluoromethyl)-4-pyridinyl]methyl]pyrazole-3-carboxylic acid
CID 118005894
7-[(3,5-difluorophenyl)methyl]-2-thiophen-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865200

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The IUPAC name of 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide (CID 145025471) is 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide.
What is the SMILES notation for 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The canonical SMILES for 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is N#CC(=CN)/C=N/c1cc(C(N)=O)nc2c1CCN(Cc1ccnc(C(F)(F)F)c1)C2.
What is the InChIKey of 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
The InChIKey is JVHYDXZXWVKHTP-VPJYFINXSA-N. The full InChI is InChI=1S/C20H18F3N7O/c21-20(22,23)18-5-12(1-3-27-18)10-30-4-2-14-15(28-9-13(7-24)8-25)6-16(19(26)31)29-17(14)11-30/h1,3,5-7,9H,2,4,10-11,24H2,(H2,26,31)/b13-7?,28-9+.
What are the key properties of 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide?
4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide has a molecular weight of 429.41 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-cyanoprop-2-enylidene)amino]-7-[[2-(trifluoromethyl)-4-pyridinyl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide is sourced from PubChem (CID 145025471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).